SCHEMBL4298796

SCHEMBL4298796

O=C(O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccc(N4CCNCC4)cc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.44
PIM3 Q86V86 4/20 0.44
PIM2 Q9P1W9 3/20 0.44
CHEK1 O14757 5/20 0.42
FGFR1 P11362 1/20 0.42
FGFR2 P21802 1/20 0.42
KHK P50053 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ZAP70 P43403 1/20 0.38
KIT P10721 2/20 0.38
KDR P35968 2/20 0.38
FLT3 P36888 2/20 0.38
BACE1 P56817 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
DHODH Q02127 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4298955 0.88 CHEK1 (0.59) PIM1PIM3PIM2CHEK1FGFR1
SCHEMBL4291923 0.82 CHEK1 (0.50) CHEK1
SCHEMBL4288965 0.82 CHEK1 (0.50) CHEK1KDM4EDHODH
SCHEMBL4290168 0.79 CHEK1 (0.49) CHEK1FGFR1KDRFLT3ALDH1A1
SCHEMBL4295657 0.78 CHEK1 (0.52) CHEK1
SCHEMBL4295756 0.78 CHEK1 (0.51) CHEK1
SCHEMBL4289731 0.77 CHEK1 (0.64) CHEK1
SCHEMBL4294388 0.77 POLB (0.48) CHEK1
SCHEMBL4297281 0.77 ERN1 (0.47) CHEK1ZAP70
SCHEMBL4294140 0.75 CHEK1 (0.46) CHEK1

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
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO claimed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A PIM1 1168/4885PIM3 1285/4885PIM2 1337/4885

“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.