SCHEMBL86464

SCHEMBL86464

NC(=O)/C(=C1\Nc2ccc(C(=O)Nc3ccc(CN4CCOCC4)cc3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.51
EPAS1 Q99814 9/20 0.51
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL86078 0.85 CD274 (0.47) RAB9AKMT2A
SCHEMBL76750 0.84 KMT2A (0.50) RAB9AKMT2ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL85984 0.84 KMT2A (0.50) RAB9AKMT2ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL86045 0.83 ATM (0.43) RAB9AKMT2A
Hydrochloric Acid SCHEMBL76600 0.83 KMT2A (0.49) RAB9AKMT2ASMN1; SMN2ALDH1A1CYP2C9
Hydrochloric Acid SCHEMBL76599 0.83 KMT2A (0.49) RAB9AKMT2ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL86020 0.82 BACE1 (0.42) NPC1RAB9AKMT2AALDH1A1
SCHEMBL86199 0.82 CYP3A4 (0.39)
SCHEMBL86473 0.81 CA1 (0.45)
SCHEMBL86100 0.78 SYK (0.40) HIF1AEPAS1

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 HIF1A 1994/4885EPAS1 1853/4885NPC1 4385/4885

“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.