SCHEMBL4294860

SCHEMBL4294860

Cc1ccc(-c2cnc(Nc3ccc(CN4CCOCC4)cn3)s2)cn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.61
CHEK1 O14757 8/20 0.48
CDK7 P50613 2/20 0.47
KIT P10721 2/20 0.46
FLT3 P36888 2/20 0.46
SIK2 Q9H0K1 1/20 0.42
SIK3 Q9Y2K2 1/20 0.42
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL4297814 0.86 KDR (0.63) KDRCHEK1CDK7KITFLT3
SCHEMBL4288116 0.84 CHEK1 (0.61) KDRCHEK1CDK7KITFLT3
SCHEMBL392141 0.78 HRH3 (0.56) HRH3
SCHEMBL4292087 0.74 CHEK1 (0.83) CHEK1
SCHEMBL4297185 0.74 CHEK1 (0.78) KDRCHEK1CDK7KITFLT3
SCHEMBL14615395 0.74 KDR (0.43) KDRCHEK1CDK7KITFLT3
SCHEMBL13323346 0.74 CDK4 (0.63) KDRCHEK1CDK7KITFLT3
SCHEMBL18291378 0.73 HRH3 (0.53) HRH3
SCHEMBL4294854 0.71 KDR (0.80) KDRCHEK1CDK7SIK2SIK3
SCHEMBL20037986 0.71 HRH3 (0.47) HRH3

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-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
US-20090233896-A1 Inhibitors of checkpoint kinases MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP disclosed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 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-20090233896-A1 Inhibitors of checkpoint kinases CHEK1, CHEK2, PLK1 KDR 3027/4885CHEK1 1/4885CDK7 39/4885

“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.