SCHEMBL7975900

SCHEMBL7975900

CNC(=O)c1ccc(-c2ccc(-c3nn(C)c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.40
CDK4 P11802 1/20 0.38
CCNA2 P20248 1/20 0.38
CCND1 P24385 1/20 0.38
CDK2 P24941 1/20 0.38
CCND3 P30281 1/20 0.38
TGFBR1 P36897 1/20 0.38
USP30 Q70CQ3 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC2 Q92769 1/20 0.37
RET P07949 1/20 0.36
BRD4 O60885 1/20 0.35
RHEB Q15382 1/20 0.35
BRAF P15056 1/20 0.35
CHEK1 O14757 1/20 0.35
CRBN Q96SW2 1/20 0.35
MMP2 P08253 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
SCHEMBL7971684 0.90 NPBWR1 (0.40) CHEK2CDK2HDAC6HDAC3HDAC1
SCHEMBL7976607 0.89 MAPT (0.43) CHEK2BRD4
SCHEMBL7976222 0.89 CHEK2 (0.44) CHEK2
SCHEMBL10139990 0.87 ATR (0.40) CHEK2CDK2TGFBR1HDAC6RHEB
SCHEMBL7973155 0.86 F9 (0.39) CHEK2BRD4ATRHPSE
SCHEMBL7972135 0.85 PDE10A (0.37) CHEK2CDK4CCNA2CCND1CDK2
SCHEMBL7970581 0.85 F9 (0.40) CHEK2BRD4ATRHPSE
SCHEMBL7971397 0.84 ALDH1A1 (0.39) CDK2CHEK1MMP2MMP9MMP8
SCHEMBL7960814 0.84 NPC1 (0.39) BRD4RHEBCHEK1
SCHEMBL7970061 0.84 GUSB (0.39) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 CHEK2 4794/4885CDK4 3342/4885CCNA2 2695/4885

“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.