SCHEMBL86050

SCHEMBL86050

NC(=O)/C(=C1\Nc2ccc(NC(=O)CCn3ccnc3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.38
ROCK2 O75116 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
KIT P10721 1/20 0.35
BRAF P15056 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
TBXAS1 P24557 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CALCRL Q16602 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAF1 P04049 1/20 0.34
POLB P06746 1/20 0.33

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 0.92 MGLL (0.38) ALDH1A1NAMPTIRAK4KITBRAF
SCHEMBL86092 0.85 LMNA (0.48) ALDH1A1NAMPTPRMT5WDR77MAPK1
SCHEMBL76476 0.85 LMNA (0.48) ALDH1A1NAMPTPRMT5WDR77MAPK1
SCHEMBL86062 0.85 HMOX1 (0.38) ALDH1A1IRAK4TBXAS1MEN1KMT2A
SCHEMBL86045 0.84 ATM (0.43) PRMT5WDR77KMT2ALMNARAF1
SCHEMBL86198 0.83 TBXAS1 (0.40) TBXAS1
SCHEMBL86038 0.82 HDAC4 (0.47) ALDH1A1NAMPTMAPK1SMN1; SMN2MEN1
SCHEMBL86468 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2CALCRLKDM4E
SCHEMBL76887 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2CALCRLKDM4E
SCHEMBL86090 0.81 CCNT1 (0.38) BRAFCALCRLMAPTRAF1

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 ALDH1A1 1651/4885NAMPT 744/4885ROCK2 355/4885

“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.