SCHEMBL2030239

SCHEMBL2030239

Cc1nc(O)cc(C2CCCNC2)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 1/20 0.50
CDK2 P24941 9/20 0.45
CHEK1 O14757 8/20 0.45
CCNA2 P20248 8/20 0.45
CCNA1 P78396 8/20 0.45
CDK1 P06493 1/20 0.41
HTR2A P28223 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL21604510 0.84 MAP3K12 (0.52) MAP3K12CDK2CHEK1CCNA2CCNA1
SCHEMBL21078324 0.79 MAP3K12 (0.48) MAP3K12CDK2CHEK1CCNA2CCNA1
SCHEMBL10896284 0.78 POLB (0.34)
SCHEMBL25087254 0.76 DRD2 (0.41) CDK2CHEK1CCNA2CCNA1HTR2A
Hydrochloric Acid SCHEMBL22122657 0.74 CHEK1 (0.40) CDK2CHEK1CCNA2CCNA1HTR2A
SCHEMBL15587845 0.74 MAP3K12 (0.54) MAP3K12CDK2CHEK1CCNA2CCNA1
SCHEMBL16220058 0.72 MAP3K12 (0.75) MAP3K12
SCHEMBL12090437 0.72 IKBKB (0.41) MAP3K12IKBKB
SCHEMBL21604475 0.70 HTR2A (0.46) HTR2A
SCHEMBL21605728 0.70 HTR2A (0.46) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9157077-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2015-10-13 US disclosed
EP-2516425-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2015-09-02 EP disclosed
US-20140080799-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2014-03-20 US disclosed
US-8563539-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2013-10-22 US disclosed
CN-102884062-A Aminopyrimidine kinase inhibitors JASCO PHARMACEUTICALS LLC 2013-01-16 CN disclosed
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2011-06-23 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 (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-20140080799-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 MAP3K12 81/4885CDK2 30/4885CHEK1 236/4885
US-20110152235-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 MAP3K12 81/4885CDK2 29/4885CHEK1 226/4885

“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.