SCHEMBL76751

SCHEMBL76751

NC(=O)C(=C1Nc2ccc(C(=O)NCCCN3CCOCC3)cc2N1)c1nccc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL76750 1.00 KMT2A (0.50) KMT2AMEN1RAB9AHTTNPSR1
SCHEMBL85984 1.00 KMT2A (0.50) KMT2AMEN1RAB9AHTTNPSR1
Hydrochloric Acid SCHEMBL76600 0.99 KMT2A (0.49) KMT2AMEN1RAB9AHTTNPSR1
Hydrochloric Acid SCHEMBL76599 0.99 KMT2A (0.49) KMT2AMEN1RAB9AHTTNPSR1
SCHEMBL86078 0.95 CD274 (0.47) KMT2AMEN1RAB9ACYP2D6POLB
SCHEMBL86184 0.92 KMT2A (0.43) KMT2AMEN1RAB9AHTTALDH1A1
SCHEMBL78011 0.89 KMT2A (0.45) KMT2AMEN1RAB9AHTTNPSR1
SCHEMBL78012 0.89 KMT2A (0.45) KMT2AMEN1RAB9AHTTNPSR1
Hydrochloric Acid SCHEMBL78089 0.88 KMT2A (0.44) KMT2AMEN1RAB9AHTTNPSR1
Hydrochloric Acid SCHEMBL78088 0.88 KMT2A (0.44) KMT2AMEN1RAB9AHTTNPSR1

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 6 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 claimed
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 claimed
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 KMT2A 378/4885MEN1 3485/4885RAB9A 3879/4885

“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.