SCHEMBL86501

SCHEMBL86501

Cc1cc2c(cc1C)NC(=C(C(N)=O)c1ncc(C(=O)NCCN3CCOCC3)c(C(F)(F)F)n1)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
RAD52 P43351 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.42
HPGDS O60760 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL86219 0.95 TYRO3 (0.46) PDE4BRAD52RXFP1KDM4EALDH1A1
SCHEMBL86096 0.90 PDE4B (0.46) PDE4BHPGDSSMN1; SMN2KMT2ABCL3
SCHEMBL85818 0.86 BCL3 (0.45) POLBKDM4EALDH1A1GAAHPGD
SCHEMBL86094 0.82 PDE4B (0.44) PDE4BKMT2ABCL3CD274
SCHEMBL86107 0.78 BCL3 (0.42) PDE4BPOLBKDM4EALDH1A1GAA
SCHEMBL86078 0.76 CD274 (0.47) POLBHPGDSKMT2ACD274
SCHEMBL76750 0.71 KMT2A (0.50) POLBKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL76751 0.71 KMT2A (0.50) POLBKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL85984 0.71 KMT2A (0.50) POLBKDM4EALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL76599 0.71 KMT2A (0.49) POLBKDM4EALDH1A1SMN1; SMN2MAPT

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 PDE4B 1913/4885RAD52 1500/4885RXFP1 4261/4885

“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.