SCHEMBL17056032

SCHEMBL17056032

Cc1cc2cnc(S(C)(=O)=O)nc2c(N2CCC(C#N)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33
▸ EGLN1 Q9GZT9 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ KHK P50053 1/20 0.32

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
SCHEMBL17056033 0.80 TTK (0.49) TTKALDH1A1KDM4ETDP1MEN1
SCHEMBL17056039 0.79 TTK (0.48) TTK
SCHEMBL18300182 0.76 TTK (0.44) TTK
SCHEMBL17056035 0.74 TTK (0.44) TTK
SCHEMBL17056031 0.71 TTK (0.49) TTKALDH1A1LMNAHPGDHSD17B10
SCHEMBL21133463 0.69 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAHSD17B10
SCHEMBL30768125 0.67 TP53 (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL27034877 0.67 TP53 (0.35) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL15508026 0.67 HTT (0.40) ALDH1A1MEN1LMNAKMT2AHPGD
SCHEMBL38664060 0.67 TTK (0.53) TTKALDH1A1KCNH2GPR119

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-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
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 (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 19/4885ALDH1A1 3310/4885KDM4E 2263/4885
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 TTK 19/4885ALDH1A1 3310/4885KDM4E 2263/4885
US-10399974-B2 N2-phenyl-pyrido[3,4-D]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors BUB1, BUB1B, CDK1 TTK 19/4885ALDH1A1 3310/4885KDM4E 2263/4885

“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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