SCHEMBL2066853

SCHEMBL2066853

Cc1cccc(C(O)(CN)c2cccc(C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 3/20 0.42
ACHE P22303 2/20 0.42
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
PARP1 P09874 1/20 0.38
IDO1 P14902 2/20 0.37
PTPN5 P54829 1/20 0.37

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
SCHEMBL15552784 0.78 KIF11 (0.50) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL9729514 0.77 LMNA (0.43) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31589254 0.76 ACHE (0.52) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL8784973 0.76 ACHE (0.52) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3677112 0.76 ACHE (0.52) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29112294 0.76 KIF11 (0.49) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL16007841 0.76 TAAR1 (0.57) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20725100 0.76 KIF11 (0.53) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16231401 0.75 ACHE (0.46) KIF11CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2538414 0.74 ACHE (0.50) KIF11CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 EP disclosed
EP-2099794-B1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-05-15 EP disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 US disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 KIF11 1158/4885CYP3A4 2487/4885CYP2D6 2219/4885

“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.