SCHEMBL7601457

SCHEMBL7601457

Cc1ccc(N)cc1Nc1nccc(-c2ccccc2)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.78
BCR P11274 6/20 0.78
CAMKK2 Q96RR4 1/20 0.65
LCK P06239 1/20 0.64
PRKCA P17252 3/20 0.56
EGFR P00533 5/20 0.53
PDGFRB P09619 3/20 0.53
PDGFRA P16234 3/20 0.53
SRC P12931 3/20 0.51
CDK5 Q00535 2/20 0.49
RET P07949 1/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CDK5R1 Q15078 1/20 0.49
PLK1 P53350 1/20 0.49
PIK3CG P48736 1/20 0.49
PRKACA P17612 1/20 0.49
PRKACG P22612 1/20 0.49

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
Hydrochloric Acid SCHEMBL5205211 0.99 ABL1 (0.76) ABL1BCRCAMKK2LCKPRKCA
SCHEMBL14041906 0.90 ABL1 (0.78) ABL1BCRCAMKK2LCKPRKCA
SCHEMBL2580846 0.90 ABL1 (0.74) ABL1BCRCAMKK2LCKPRKCA
SCHEMBL29366999 0.88 ABL1 (1.00) ABL1BCRPRKCAEGFRPDGFRB
SCHEMBL2392 0.88 ABL1 (1.00) ABL1BCRPRKCAEGFRPDGFRB
SCHEMBL29555505 0.88 ABL1 (1.00) ABL1BCRPRKCAEGFRPDGFRB
Hydrochloric Acid SCHEMBL2419016 0.87 ABL1 (0.98) ABL1BCRPRKCAEGFRPDGFRB
Ammonia Solution, Strong SCHEMBL4749564 0.87 ABL1 (0.98) ABL1BCRPRKCAEGFRPDGFRB
SCHEMBL4893292 0.86 ABL1 (0.65) ABL1BCRCAMKK2LCKPRKCA
SCHEMBL2575958 0.85 ABL1 (0.78) ABL1BCRCAMKK2LCKPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183253-B2 Condensing (3-trifluoromethylsulfonyl) benzoyl chloride and 4-methyl-2-nitro-aniline; reducing nitro group with stannous chloride; condensing amino group with cyanamide; cyclocondensing guanidine group with 3-dimethylamino-1-pyridin-3-yl-propenone; antiproliferative agents; chronic myeloid leukemia NATCO PHARMA LIMITED (IN) 2012-05-22 US disclosed
EP-1833815-B1 A PROCESS FOR PREPARATION OF IMATINIB BASE INST FARMACEUTYCZNY (PL) 2010-09-15 EP disclosed
US-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE NATCO PHARMA LIMITED (IN) 2008-12-11 US disclosed
US-7279576-B2 Anti-cancer medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-10-09 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 (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-20080306100-A1 PHENYLAMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF BCR-ABL KINASE ABL1, ABL2, BCR ABL1 1/4885BCR 3/4885CAMKK2 612/4885

“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.