SCHEMBL17049306

SCHEMBL17049306

COc1cc(-c2ccnn2C)ccc1NC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
BRD3 Q15059 1/20 0.50
LRRK2 Q5S007 1/20 0.49
PAX8 Q06710 3/20 0.44
TTK P33981 1/20 0.44
GAK O14976 1/20 0.42
GRM7 Q14831 1/20 0.42
P2RX7 Q99572 3/20 0.42
ICMT O60725 1/20 0.41
HTT P42858 2/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ABL1 P00519 1/20 0.38
MC4R P32245 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL21133715 0.82 LRRK2 (0.54) BRD4BRD3LRRK2TTKGRM7
SCHEMBL17055911 0.81 LRRK2 (0.53) LRRK2PAX8TTKGAKHTT
SCHEMBL28058890 0.78 GRM7 (0.56) BRD4BRD3LRRK2GRM7ICMT
SCHEMBL30132235 0.78 TTK (0.45) LRRK2PAX8TTKGAKHTT
SCHEMBL15507920 0.78 TTK (0.45) LRRK2PAX8TTKGAKHTT
SCHEMBL15507907 0.78 LRRK2 (0.53) BRD4LRRK2PAX8TTKGAK
SCHEMBL15507908 0.77 LRRK2 (0.52) LRRK2PAX8TTKGAKHTT
SCHEMBL15507812 0.77 TTK (0.60) PAX8TTK
SCHEMBL15507998 0.76 ERN1 (0.53) LRRK2TTK
SCHEMBL24497540 0.76 KDM5A (0.52) BRD4BRD3LRRK2TTKGRM7

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
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
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
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

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 BRD4 1504/4885BRD3 1969/4885LRRK2 587/4885
US-20180194761-A1 N2-PHENYL-PYRIDO[3,4- D]PYRIMIDINE-2, 8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS BUB1, BUB1B, CDK1 BRD4 1504/4885BRD3 1969/4885LRRK2 587/4885
US-10399974-B2 N2-phenyl-pyrido[3,4-D]pyrimidine-2, 8-diamine derivatives and their use as Mps1 inhibitors BUB1, BUB1B, CDK1 BRD4 1504/4885BRD3 1969/4885LRRK2 587/4885

“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.