SCHEMBL3221971

SCHEMBL3221971

COc1cncc(-c2ccnc(Nc3cc(C(=O)O)ccc3C)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 12/20 0.53
BCR P11274 10/20 0.53
PDGFRA P16234 10/20 0.53
PDGFRB P09619 7/20 0.53
PRKCA P17252 5/20 0.53
EGFR P00533 3/20 0.53
CAMKK2 Q96RR4 2/20 0.53
MAPK8 P45983 1/20 0.53
PIK3CG P48736 1/20 0.53
KIT P10721 3/20 0.49
HDAC8 Q9BY41 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
SCHEMBL16898354 0.87 ABL1 (0.56) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL13492456 0.85 ABL1 (0.61) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL13492450 0.85 ABL1 (0.63) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL29707254 0.84 ABL1 (0.71) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL533540 0.84 ABL1 (0.71) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL13492454 0.84 ABL1 (0.57) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL13492620 0.84 ABL1 (0.53) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL4372117 0.84 CAMKK2 (0.57) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL3099819 0.83 ABL1 (0.69) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL13492457 0.83 ABL1 (0.60) ABL1BCRPDGFRAPDGFRBPRKCA

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
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
WO-2015106292-A1 BCR-ABL TYROSINE-KINASE LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2015-07-16 WO disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
US-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-25 US disclosed
EP-2079729-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-07-22 EP disclosed
WO-2008058037-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-05-15 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-20100048539-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS PDGFRB, PDGFRA, KIT ABL1 9/4885BCR 65/4885PDGFRA 2/4885

“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.