SCHEMBL4287640

SCHEMBL4287640

O=c1[nH]ccc2cc(CN3CCOCC3)c3ccc(Br)cc3c12

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.62
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4288997 0.92 CHEK1 (0.69) CHEK1
SCHEMBL4294653 0.90 CHEK1 (0.66) CHEK1HSD17B10KMT2A
SCHEMBL4295763 0.90 CHEK1 (0.66) CHEK1
SCHEMBL4298809 0.89 CHEK1 (0.64) CHEK1
SCHEMBL4292112 0.89 CHEK1 (0.65) CHEK1HSD17B10KMT2A
SCHEMBL4287648 0.88 CHEK1 (0.61) CHEK1
SCHEMBL4296683 0.88 CHEK1 (0.63) CHEK1
SCHEMBL4290095 0.85 CHEK1 (0.60) CHEK1
SCHEMBL13659635 0.84 CHEK1 (0.84) CHEK1ATM
SCHEMBL4292384 0.83 CHEK1 (0.82) CHEK1ATM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
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
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
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
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 CHEK1 1/4885HSD17B10 4115/4885ALDH1A1 2405/4885

“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.