SCHEMBL18300032

SCHEMBL18300032

COc1cc(-c2ccn(C)n2)ccc1NC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.43
▸ HTT P42858 2/20 0.41
▸ GAK O14976 1/20 0.41
▸ PAX8 Q06710 2/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SCN4A P35499 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ JMJD6 Q6NYC1 1/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIP5K1C O60331 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PI4KA P42356 1/20 0.36
▸ PIK3CG P48736 1/20 0.36

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
SCHEMBL17580555 0.86 SYK (0.38) TTKKEAP1KMT2ASCN4ACYP19A1
SCHEMBL15507770 0.78 LRRK2 (0.51) TTKHTTGAKPAX8KMT2A
SCHEMBL30132201 0.78 LRRK2 (0.51) TTKHTTGAKPAX8KMT2A
SCHEMBL30132200 0.78 LRRK2 (0.51) TTKHTTGAKPAX8KMT2A
SCHEMBL15507998 0.77 ERN1 (0.53) TTKUSP30
SCHEMBL17049267 0.76 LRRK2 (0.53) TTKHTTGAKPAX8LMNA
SCHEMBL17049306 0.75 BRD4 (0.50) TTKHTTGAKPAX8CYP19A1
SCHEMBL17056047 0.75 TTK (0.45) TTKHTTGAKPAX8KMT2A
SCHEMBL22710175 0.74 CYP19A1 (0.45) KEAP1KMT2ASCN4ACYP19A1JMJD6
SCHEMBL17049238 0.74 ALDH1A1 (0.59) HTTKEAP1KMT2AHSD17B10SCN4A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-3110816-B1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-06-19 — — EP disclosed
EP-3110816-B1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS CANCER RESEARCH TECH LTD (GB) 2019-06-19 — — EP 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-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-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
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

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

For each of this compound's patents that has machine-readable text (3 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-20160362409-A1 N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 TTK 19/4885HTT 3674/4885GAK 133/4885
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 TTK 19/4885HTT 3674/4885GAK 133/4885
US-10399974-B2 N2-phenyl-pyrido[3,4-D]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors BUB1, BUB1B, CDK1 TTK 19/4885HTT 3674/4885GAK 133/4885

“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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