SCHEMBL85800

SCHEMBL85800

NC(=O)/C(=C1\Nc2cc(NC(=O)Cn3ccnc3)ccc2S1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
CALCRL Q16602 1/20 0.35
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
IRAK4 Q9NWZ3 3/20 0.34
AGTR2 P50052 1/20 0.33
EGFR P00533 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AHR P35869 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NTRK1 P04629 1/20 0.32
NAMPT P43490 1/20 0.31
TBXAS1 P24557 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL86059 0.88 MGLL (0.38) MGLLCALCRLGSK3BDYRK1AIRAK4
SCHEMBL86095 0.82 AGTR2 (0.39) AGTR2CYP19A1TBXAS1
SCHEMBL86050 0.80 ALDH1A1 (0.42) CALCRLIRAK4KDM4ENAMPTTBXAS1
SCHEMBL76569 0.80 RAF1 (0.35) CALCRL
SCHEMBL76568 0.80 RAF1 (0.35) CALCRL
SCHEMBL86055 0.79 HMOX1 (0.36) GSK3BIRAK4AGTR2CYP19A1CYP1A2
SCHEMBL77685 0.79 HMOX1 (0.36) GSK3BIRAK4AGTR2CYP19A1CYP1A2
SCHEMBL76863 0.78 TBXAS1 (0.43) CYP19A1KDM4ETBXAS1ALDH1A1
SCHEMBL76864 0.78 TBXAS1 (0.43) CYP19A1KDM4ETBXAS1ALDH1A1
SCHEMBL86068 0.78 NAMPT (0.42) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9

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 MGLL 3867/4885CALCRL 4647/4885GSK3B 1202/4885

“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.