SCHEMBL4297406

SCHEMBL4297406

NCCCOc1ccc(Cl)cc1Nc1ncc(-c2cncc(Br)c2)s1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.43
CDK7 P50613 6/20 0.42
KDR P35968 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
NR4A2 P43354 1/20 0.32
PTGER1 P34995 1/20 0.32

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
SCHEMBL4303171 0.89 CHEK1 (0.42) CHEK1CDK7KDRMEN1POLB
SCHEMBL4291422 0.72 CHEK1 (0.62) CHEK1CDK7KDR
SCHEMBL4291498 0.64 CYP2A6 (0.42) CHEK1CDK7POLB
SCHEMBL6336657 0.63 KDR (0.63) KDR
SCHEMBL4291430 0.61 CSNK2A1 (0.42) CHEK1CDK7KMT2A
SCHEMBL6336582 0.61 KDR (0.63) KDR
SCHEMBL4294396 0.60 NPC1 (0.47) CHEK1CDK7KDRMEN1KMT2A
SCHEMBL7536535 0.60 MAPT (0.55) KMT2A
SCHEMBL5378857 0.60 KMT2A (0.71) CHEK1MEN1POLBKMT2A
SCHEMBL14194196 0.59 MAPT (0.49) MEN1POLBKMT2A

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 8 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
EP-1893607-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-03-05 EP claimed
WO-2006135604-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-12-21 WO 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 CHEK1 1/4885CDK7 39/4885KDR 3027/4885

“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.