SCHEMBL76498

SCHEMBL76498

NC(=O)C(C(=S)Nc1ccc(OCCn2ccnc2)cc1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.57
NOS1 P29475 3/20 0.48
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL10747686 0.75 TBXAS1 (1.00) TBXAS1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10928050 0.70 TBXAS1 (1.00) TBXAS1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL10761842 0.70 TBXAS1 (0.77) TBXAS1NOS1LMNAMEN1KMT2A
SCHEMBL10751356 0.69 TBXAS1 (0.79) TBXAS1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL13683752 0.69 NOS1 (0.61) TBXAS1NOS1LMNAMEN1KMT2A
SCHEMBL3005716 0.68 TBXAS1 (1.00) TBXAS1LMNAMEN1KMT2A
SCHEMBL10749747 0.68 TBXAS1 (1.00) TBXAS1LMNAMEN1KMT2A
SCHEMBL8686274 0.68 NOS1 (1.00) TBXAS1NOS1LMNAMEN1KMT2A
Nitric Acid SCHEMBL6034193 0.67 TBXAS1 (0.69) TBXAS1LMNAMEN1KMT2A
SCHEMBL76863 0.66 TBXAS1 (0.43) TBXAS1NOS1LMNAMEN1KMT2A

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 4 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
EP-2346856-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) 2011-07-27 EP 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 TBXAS1 1133/4885NOS1 3608/4885LMNA 3563/4885

“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.