SCHEMBL19836330

SCHEMBL19836330

COc1nc2ccc(-c3ccnc(Cl)n3)cc2n1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.51
CDK4 P11802 3/20 0.51
CCNB1 P14635 3/20 0.51
CCND1 P24385 3/20 0.51
EGFR P00533 4/20 0.45
CDK6 Q00534 2/20 0.38
AAK1 Q2M2I8 4/20 0.36
KMO O15229 2/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33

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
SCHEMBL30039856 1.00 CDK1 (0.51) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL19836463 0.84 CDK4 (0.59) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL30039843 0.84 CDK4 (0.59) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL20987176 0.82 EGFR (0.48) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL30039846 0.81 CDK1 (0.44) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL20987211 0.81 CDK4 (0.51) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL19836729 0.81 CDK1 (0.44) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL30040828 0.77 AAK1 (0.34) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL30038555 0.75 MAPK14 (0.42) CDK1CDK4CCNB1CCND1EGFR
SCHEMBL19836336 0.75 MAPK14 (0.42) CDK1CDK4CCNB1CCND1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3492462-B1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2023-08-30 EP disclosed
EP-3492462-B1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX INC (CN) 2023-08-30 EP disclosed
CN-113382991-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2022-12-27 CN disclosed
CN-113382991-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2021-09-10 CN disclosed
US-11111233-B2 Amino pyrimidine compound for inhibiting protein tyrosine kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-09-07 US disclosed
US-11111233-B2 Amino pyrimidine compound for inhibiting protein tyrosine kinase activity SHENZHEN TARGETRX, INC. (CN) 2021-09-07 US disclosed
CN-110818690-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2021-08-10 CN disclosed
CN-110818690-A Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2020-02-21 CN disclosed
CN-108602802-B Aminopyrimidines useful for inhibiting protein tyrosine kinase activity 深圳市塔吉瑞生物医药有限公司 2020-01-21 CN disclosed
EP-3492462-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY Shenzhen Targetrx, Inc. (CN) 2019-06-05 EP disclosed
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2019-05-23 US disclosed
US-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2019-05-23 US disclosed
WO-2018019204-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY 深圳市塔吉瑞生物医药有限公司 2018-02-01 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 (2 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-20190152954-A1 AMINO PYRIMIDINE COMPOUND FOR INHIBITING PROTEIN TYROSINE KINASE ACTIVITY LCK, WEE1, JAK1 CDK1 39/4885CDK4 83/4885CCNB1 577/4885
US-11111233-B2 Amino pyrimidine compound for inhibiting protein tyrosine kinase activity LCK, WEE1, JAK1 CDK1 39/4885CDK4 83/4885CCNB1 577/4885

“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.