SCHEMBL2065992

SCHEMBL2065992

COC(CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
LMNA P02545 1/20 0.45
KIF11 P52732 7/20 0.42
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 1/20 0.39
KCNN4 O15554 2/20 0.39
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11784733 0.83 KIF11 (0.46) TAAR1LMNAKIF11KCNH2KCNN4
SCHEMBL6470484 0.79 LMNA (0.50) TAAR1LMNAMAPK1KCNN4CES1
SCHEMBL662477 0.78 TAAR1 (0.48) TAAR1LMNAKIF11KCNH2MAPK1
SCHEMBL2252740 0.77 TAAR1 (0.52) TAAR1KIF11KCNH2MAPK1KCNN4
SCHEMBL11292919 0.77 LMNA (0.45) TAAR1LMNAKIF11MAPK1KCNN4
SCHEMBL6057047 0.77 LMNA (0.45) TAAR1LMNAKIF11KCNH2MAPK1
SCHEMBL14943965 0.77 TAAR1 (0.36) TAAR1LMNAKIF11KCNH2
SCHEMBL765190 0.76 CYP1A2 (0.48) TAAR1LMNAKIF11MAPK1KCNN4
Hydrochloric Acid SCHEMBL3660924 0.76 TAAR1 (0.50) TAAR1LMNAKIF11KCNH2MAPK1
SCHEMBL7978013 0.75 KIF11 (0.46) TAAR1LMNAKIF11KCNH2KCNN4

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 11 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
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO 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 TAAR1 1703/4885LMNA 3911/4885KIF11 1158/4885

“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.