SCHEMBL85802

SCHEMBL85802

COc1ccnc(/C(C(N)=O)=C2/Nc3ccc(CN4CCOCC4)cc3S2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.37
MAPK8 P45983 2/20 0.37
CAMKK2 Q96RR4 2/20 0.37
INSR P06213 1/20 0.37
KCNH2 Q12809 1/20 0.37
ICAM1 P05362 2/20 0.37
FLT3 P36888 1/20 0.37
HTT P42858 1/20 0.36
CHEK1 O14757 3/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
CDK7 P50613 2/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
CASP3 P42574 1/20 0.35
CDK9 P50750 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MET P08581 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL86100 0.86 SYK (0.40) CHUKMAPK8CAMKK2INSRICAM1
SCHEMBL86474 0.78 TBK1 (0.43) KCNH2ICAM1FLT3PDGFRBKDR
SCHEMBL78085 0.78 CYP3A4 (0.38)
SCHEMBL85807 0.78 CYP3A4 (0.38)
SCHEMBL86060 0.77 ICAM1 (0.37) ICAM1PDGFRBKDR
SCHEMBL86435 0.76 GAA (0.34) MAPK8HTTCDK2SMN1; SMN2
SCHEMBL86208 0.74 SYK (0.40) CHUKMAPK8CAMKK2INSRKCNH2
SCHEMBL85815 0.73 EPHX2 (0.41)
SCHEMBL86071 0.73 KDM4E (0.40) HTTSMN1; SMN2
SCHEMBL86103 0.70 CHUK (0.40) CHUKMAPK8CAMKK2INSRPDGFRB

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 CHUK 33/4885MAPK8 143/4885CAMKK2 40/4885

“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.