SCHEMBL86055

SCHEMBL86055

NC(=O)/C(=C1\Nc2ccc(CCn3ccnc3)cc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.36
TBXAS1 P24557 7/20 0.36
IRAK4 Q9NWZ3 1/20 0.33
AGTR2 P50052 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 2/20 0.32
CYP19A1 P11511 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL77685 1.00 HMOX1 (0.36) HMOX1TBXAS1IRAK4AGTR2TP53
SCHEMBL86095 0.92 AGTR2 (0.39) TBXAS1AGTR2CYP19A1
SCHEMBL86062 0.87 HMOX1 (0.38) HMOX1TBXAS1IRAK4AGTR2TP53
SCHEMBL76863 0.87 TBXAS1 (0.43) TBXAS1KMT2ACYP19A1LMNAMEN1
SCHEMBL76864 0.87 TBXAS1 (0.43) TBXAS1KMT2ACYP19A1LMNAMEN1
Hydrochloric Acid SCHEMBL77228 0.86 TBXAS1 (0.43) TBXAS1KMT2ACYP19A1LMNAMEN1
Hydrochloric Acid SCHEMBL77229 0.86 TBXAS1 (0.43) TBXAS1KMT2ACYP19A1LMNAMEN1
SCHEMBL86068 0.85 NAMPT (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL86056 0.84 SYK (0.35)
SCHEMBL86033 0.84 HDAC4 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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 HMOX1 4439/4885TBXAS1 1133/4885IRAK4 474/4885

“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.