SCHEMBL17049238

SCHEMBL17049238

COc1cc(-c2ccn(C)n2)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ CYP3A4 P08684 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ KEAP1 Q14145 1/20 0.54
▸ PIK3CD O00329 3/20 0.48
▸ PIK3CA P42336 3/20 0.48
▸ PIK3CB P42338 3/20 0.48
▸ PIK3CG P48736 3/20 0.48
▸ PI4KB Q9UBF8 3/20 0.48
▸ PIP5K1C O60331 1/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ KMT2A Q03164 1/20 0.44
▸ SCN4A P35499 1/20 0.43
▸ FYN P06241 2/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ EGFR P00533 2/20 0.42
▸ HCK P08631 2/20 0.42
▸ SRC P12931 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27975672 0.86 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL15283278 0.83 KEAP1 (0.50) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL3716276 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL18985959 0.81 KEAP1 (0.63) CYP3A4TDP1KEAP1PIK3CDPIK3CA
SCHEMBL29133162 0.81 KEAP1 (0.46) ALDH1A1TSHRHSD17B10KEAP1PIK3CD
SCHEMBL29598492 0.81 KMO (0.48) ALDH1A1TSHRHSD17B10KEAP1PIK3CD
SCHEMBL29598549 0.81 SCN4A (0.50) ALDH1A1KEAP1PIK3CDPIK3CAPIK3CB
SCHEMBL16910765 0.79 KDM4E (0.50) ALDH1A1KEAP1PIK3CDPIK3CAPIK3CB
SCHEMBL20092476 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHSD17B10TDP1
SCHEMBL25589659 0.78 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRHSD17B10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 — — US disclosed
EP-3575299-B1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS CANCER RESEARCH TECH LTD (GB) 2022-07-20 — — EP disclosed
US-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2022-02-01 — — US disclosed
EP-3915986-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Inc. (KR) 2021-12-01 — — EP disclosed
EP-3649127-B1 SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-08 — — EP disclosed
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — US disclosed
EP-3575299-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS Cancer Research Technology Limited (GB) 2019-12-04 — — EP disclosed
EP-3575299-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS Cancer Research Technology Limited (GB) 2019-12-04 — — EP disclosed
US-10399974-B2 N2-phenyl-pyrido[3,4-D]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-03 — — US disclosed
US-10399974-B2 N2-phenyl-pyrido[3,4-D]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-03 — — US disclosed
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-07-12 — — US disclosed
US-9902721-B2 N2-phenyl-pyrido[3,4-d]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-27 — — US disclosed
US-9902721-B2 N2-phenyl-pyrido[3,4-d]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-27 — — US disclosed
US-9902721-B2 N2-phenyl-pyrido[3,4-d]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-27 — — US disclosed
EP-3110816-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS Cancer Research Technology Ltd (GB) 2017-01-04 — — EP disclosed
US-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-12-15 — — US disclosed
US-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-12-15 — — US disclosed
US-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2016-12-15 — — US disclosed
WO-2015128676-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-09-03 — — WO disclosed
WO-2015128676-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-09-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 ALDH1A1 3055/4885CYP3A4 1966/4885TSHR 2992/4885
US-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 ALDH1A1 3310/4885CYP3A4 4494/4885TSHR 2941/4885
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 ALDH1A1 3310/4885CYP3A4 4494/4885TSHR 2941/4885
US-11236084-B2 Substituted azaindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 ALDH1A1 3603/4885CYP3A4 2938/4885TSHR 4038/4885
US-10399974-B2 N2-phenyl-pyrido[3,4-D]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors BUB1, BUB1B, CDK1 ALDH1A1 3310/4885CYP3A4 4494/4885TSHR 2941/4885
US-20210188840-A1 NEW SUBSTITUTED AZAINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, MAP3K14 ALDH1A1 3864/4885CYP3A4 3460/4885TSHR 4099/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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