SCHEMBL2065461

SCHEMBL2065461

CC(C)(N)C(CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
KCNN4 O15554 1/20 0.44
SLC6A2 P23975 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT1 Q99873 1/20 0.39
MAPK1 P28482 1/20 0.39
KIF11 P52732 5/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 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
SCHEMBL10346778 0.87 TAAR1 (0.54) TAAR1KCNN4SLC6A2CYP1A2CYP3A4
SCHEMBL10346547 0.83 TAAR1 (0.48) TAAR1KCNN4SLC6A2CYP3A4CYP2D6
SCHEMBL5070011 0.81 TAAR1 (0.50) TAAR1KCNN4SLC6A2KIF11ALDH1A1
SCHEMBL11370948 0.79 KIF11 (0.57) TAAR1KCNN4CYP3A4CYP2D6KIF11
SCHEMBL2065870 0.78 TAAR1 (0.48) TAAR1KCNN4SLC6A2CYP1A2CYP3A4
SCHEMBL11365454 0.78 TAAR1 (0.44) TAAR1KCNN4SLC6A2CYP1A2CYP2D6
SCHEMBL4742023 0.77 TAAR1 (0.58) TAAR1KCNN4SLC6A2CYP1A2CYP3A4
SCHEMBL77069 0.76 TAAR1 (0.62) TAAR1KCNN4SLC6A2CYP1A2CYP3A4
SCHEMBL23453194 0.74 TAAR1 (0.54) TAAR1KCNN4CYP1A2CYP3A4CYP2D6
SCHEMBL1450491 0.74 TAAR1 (0.54) TAAR1KCNN4CYP1A2CYP3A4CYP2D6

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 5 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
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
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

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 1703/4885KCNN4 3472/4885SLC6A2 2942/4885

“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.