SCHEMBL86208

SCHEMBL86208

NC(=O)/C(=C1\Nc2ccc(OCCN3CCOCC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
ABHD6 Q9BV23 1/20 0.39
MAOA P21397 1/20 0.39
BRAF P15056 1/20 0.39
MAPK14 Q16539 1/20 0.39
CHUK O15111 2/20 0.39
INSR P06213 2/20 0.39
MAPK8 P45983 2/20 0.39
CAMKK2 Q96RR4 2/20 0.39
LCK P06239 2/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
KDR P35968 1/20 0.38
HPGD P15428 1/20 0.38
ULK1 O75385 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 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
SCHEMBL85815 0.96 EPHX2 (0.41)
SCHEMBL86104 0.92 SYK (0.40) SYKLCKULK1SIGMAR1KDM4E
SCHEMBL85807 0.87 CYP3A4 (0.38) SYKOPRM1SIGMAR1KDM4E
SCHEMBL78085 0.87 CYP3A4 (0.38) SYKOPRM1SIGMAR1KDM4E
SCHEMBL86093 0.86 L3MBTL1 (0.40) SYKABHD6BRAFMAPK14LCK
SCHEMBL86100 0.85 SYK (0.40) SYKCHUKINSRMAPK8CAMKK2
SCHEMBL86081 0.84 CD274 (0.45) MAOAKCNH2ALDH1A1
SCHEMBL76863 0.83 TBXAS1 (0.43) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL77228 0.83 TBXAS1 (0.43) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL77229 0.83 TBXAS1 (0.43) KDM4EALDH1A1

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
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-8129396-B2 2-[1H-benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2012-03-06 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
US-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. 2010-04-01 US disclosed
WO-2010036873-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors TELIK, INC. (US) 2010-04-01 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-20100081653-A1 2-[1H-Benzimidazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides and 2-[benzothiazol-2(3H)-ylidene]-2-(pyrimidin-2-yl)acetamides as kinase inhibitors MAP3K2, MAP4K2, MAP3K12 SYK 716/4885ABHD6 3475/4885MAOA 4064/4885

“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.