SCHEMBL10125262

SCHEMBL10125262

CC(C)(C)OC(=O)N1CC(C#N)(c2ncccc2CCc2ccnc(Cl)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GPR119 Q8TDV5 5/20 0.36
DTYMK P23919 1/20 0.35
JAK2 O60674 5/20 0.34
JAK1 P23458 5/20 0.34
ACHE P22303 2/20 0.34
SQOR Q9Y6N5 1/20 0.33
GRM5 P41594 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.32
CCNK O75909 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCND3 P30281 1/20 0.32
CDK9 P50750 1/20 0.32
CDK6 Q00534 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL10125429 0.82 POLB (0.41) POLBGPR119DTYMKJAK2JAK1
SCHEMBL15033820 0.80 POLB (0.40) POLBGPR119DTYMKJAK2JAK1
SCHEMBL10125376 0.78 PTK2 (0.44) JAK2CDK2CDK9
SCHEMBL10125419 0.76 POLB (0.43) POLBGPR119DTYMKJAK2JAK1
SCHEMBL2899250 0.76 GRM5 (0.43) POLBGPR119DTYMKJAK2JAK1
SCHEMBL10125364 0.74 GPR119 (0.42) POLBGPR119DTYMKJAK2JAK1
SCHEMBL15033814 0.72 GRM5 (0.40) POLBGPR119DTYMKJAK2JAK1
SCHEMBL3886709 0.70 GPR119 (0.46) POLBGPR119DTYMKJAK2JAK1
SCHEMBL3555626 0.68 POLB (0.48) POLBGPR119DTYMKJAK2JAK1
SCHEMBL31227168 0.67 POLB (0.50) POLBGPR119ACHECCNK

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
EP-2606034-B1 PYRIMIDINE DERIVATIVE AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2016-03-09 EP disclosed
US-8906916-B2 Pyrimidine derivatives as FAK inhibitors MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906916-B2 Pyrimidine derivatives as FAK inhibitors MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
US-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
WO-2012022408-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS MERCK PATENT GMBH (DE) 2012-02-23 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-20130158005-A1 PYRIMIDINE DERIVATIVES AS FAK INHIBITORS CDK2, PTK2, CDKN1A POLB 723/4885GPR119 1536/4885DTYMK 27/4885

“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.