SCHEMBL86100

SCHEMBL86100

NC(=O)/C(=C1\Nc2ccc(CN3CCOCC3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
HIF1A Q16665 3/20 0.38
EPAS1 Q99814 3/20 0.38
ICAM1 P05362 4/20 0.36
CHUK O15111 2/20 0.36
MAPK8 P45983 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
GRM2 Q14416 2/20 0.36
INSR P06213 1/20 0.36
CHEK1 O14757 2/20 0.35
CDK7 P50613 1/20 0.35
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 0.35
PARP1 P09874 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL85807 0.92 CYP3A4 (0.38) SYK
SCHEMBL78085 0.92 CYP3A4 (0.38) SYK
SCHEMBL86474 0.91 TBK1 (0.43) ICAM1GRM2CDK7IKBKETBK1
SCHEMBL86060 0.91 ICAM1 (0.37) ICAM1GRM2IKBKETBK1PDGFRB
SCHEMBL85802 0.86 CHUK (0.37) ICAM1CHUKMAPK8CAMKK2INSR
SCHEMBL86071 0.86 KDM4E (0.40)
SCHEMBL86208 0.85 SYK (0.40) SYKCHUKMAPK8CAMKK2INSR
SCHEMBL86093 0.85 L3MBTL1 (0.40) SYKHIF1A
SCHEMBL85815 0.85 EPHX2 (0.41)
SCHEMBL86081 0.84 CD274 (0.45)

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 716/4885HIF1A 1994/4885EPAS1 1853/4885

“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.