SCHEMBL76562

SCHEMBL76562

CSc1nc(-c2ccccn2)cc(C(F)(F)F)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MDM2 Q00987 1/20 0.50
CYP1A2 P05177 6/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 4/20 0.45
BLM P54132 3/20 0.45
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
CYP2C19 P33261 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
SCHEMBL5373756 0.78 MEN1 (0.38) KDM4ECYP1A2CYP2C9KMT2AMEN1
SCHEMBL5022221 0.77 CCR1 (0.46) GAAKDM4ECYP1A2KMT2ABLM
SCHEMBL14444309 0.77 CYP1A2 (0.69) GAAKDM4ECYP1A2CYP2C9KMT2A
SCHEMBL29977085 0.77 MEN1 (0.44) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL19805929 0.77 MEN1 (0.44) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL19806062 0.77 SDHB (0.59) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20985694 0.76 GPBAR1 (0.42) GAAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL29975933 0.76 GPBAR1 (0.42) GAAKDM4EKMT2AMEN1ALDH1A1
SCHEMBL29976648 0.75 LMNA (0.63) KDM4ECYP1A2CYP2C9KMT2AMEN1
SCHEMBL19435528 0.75 KDM4E (0.51) GAAKDM4EMDM2CYP1A2CYP2C9

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 GAA 2073/4885KDM4E 939/4885MDM2 1738/4885

“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.