SCHEMBL2031827

SCHEMBL2031827

CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1)OCC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 11/20 0.53
BTK Q06187 2/20 0.51
NPY5R Q15761 1/20 0.48
CDK1 P06493 2/20 0.41
CDK2 P24941 1/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
STK17A Q9UEE5 1/20 0.41
AURKA O14965 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
SCHEMBL2032400 0.91 PTK2 (0.45) PTK2BTKCDK1CDK2STK17A
SCHEMBL2033998 0.90 PTK2 (0.44) PTK2BTKCDK1CDK2STK17A
SCHEMBL2035689 0.90 PTK2 (0.44) PTK2BTKCDK1CDK2STK17A
SCHEMBL2035700 0.90 PTK2 (0.44) PTK2BTKCDK1CDK2CCNT1
SCHEMBL2027770 0.84 LRRK2 (0.43) PTK2BTK
SCHEMBL2637155 0.84 PTK2 (0.48) PTK2STK17AAURKA
SCHEMBL2637209 0.84 PTK2 (0.52) PTK2STK17AAURKA
SCHEMBL2028041 0.83 LRRK2 (0.48) PTK2
SCHEMBL2637214 0.83 PTK2 (0.49) PTK2STK17AAURKA
SCHEMBL15226739 0.79 PTK2 (0.44) PTK2CDK1CDK2STK17AAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS PTK2 2/4885BTK 42/4885NPY5R 3309/4885

“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.