SCHEMBL4287685

SCHEMBL4287685

c1cnc(On2ccc3ccccc32)nc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDK4 P11802 4/20 0.38
CCND1 P24385 4/20 0.38
SLC6A2 P23975 4/20 0.38
NOTUM Q6P988 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.33
BIRC5 O15392 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL8995369 0.75 CDK4 (0.42) CDK4CCND1NOTUMKMT2ABIRC5
SCHEMBL22769564 0.74 CDK4 (0.45) CDK4CCND1SLC6A2NOTUMKMT2A
SCHEMBL17913218 0.73 MGLL (0.44) CDK4CCND1SLC6A2MAPT
SCHEMBL321199 0.70 CDK4 (0.45) CDK4CCND1SLC6A2NOTUMMAPT
SCHEMBL29614841 0.70 CDK4 (0.45) CDK4CCND1SLC6A2NOTUMMAPT
SCHEMBL4288131 0.70 CDK4 (0.45) CDC7CDK2ROCK1CDK4CCND1
SCHEMBL6247012 0.69 ALDH1A1 (0.41) CDK4CCND1SLC6A2NOTUMMAPT
Hydrochloric Acid SCHEMBL7218572 0.68 CDK4 (0.43) CDK4CCND1SLC6A2NOTUMMAPT
SCHEMBL3576716 0.67 CDK4 (0.47) CDK4CCND1SLC6A2NOTUMKMT2A
SCHEMBL10932323 0.67 CDK4 (0.42) CDK4CCND1NOTUMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225619-B1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-10-14 EP disclosed
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
US-20090149467-A1 Tyrosine Kinase Inhibitors MERCK & CO., INC. (US) 2009-06-11 US disclosed
EP-1934200-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-06-25 EP disclosed
EP-1934200-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2008-06-25 EP disclosed
WO-2007035309-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-03-29 WO disclosed
WO-2007035309-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-03-29 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 (1 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-20090149467-A1 Tyrosine Kinase Inhibitors ABL1, MET, ERBB2 CDC7 251/4885CDK2 117/4885ROCK1 221/4885

“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.