Sugi Predict

Sugi Predict / Compounds / SCHEMBL7973528

SCHEMBL7973528

SCHEMBL7973528

Cn1nc(-c2ccc(-c3ccccc3Cl)cc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.42
▸ SCD O00767 1/20 0.42
▸ GUSB P08236 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ CDK4 P11802 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCND3 P30281 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ AMY1A P0DUB6 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
SCHEMBL7970044 0.89 SCD (0.43) SCDGUSBNPC1RAB9AALDH1A1
SCHEMBL7972344 0.89 SMN1; SMN2 (0.41) GUSBKDM4ENPC1RAB9AALDH1A1
SCHEMBL7972135 0.88 PDE10A (0.37) CHEK2SCDNPC1RAB9ACDK4
SCHEMBL7971018 0.88 HSD17B10 (0.37) KDM4ENPC1RAB9AALDH1A1BRD4
SCHEMBL10139961 0.87 GUSB (0.39) CHEK2GUSBKDM4ENPC1RAB9A
SCHEMBL7975958 0.87 PDE10A (0.40) GUSBCDK4CCNA2CCND1CDK2
SCHEMBL10139983 0.87 PDE10A (0.40) GUSBKDM4ERAB9AALDH1A1CDK4
SCHEMBL7970581 0.86 F9 (0.40) CHEK2GUSBNPC1RAB9AALDH1A1
SCHEMBL20307843 0.86 NPC1 (0.34) GUSBKDM4ENPC1RAB9AALDH1A1
SCHEMBL7973860 0.85 CHEK2 (0.38) 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 4794/4885SCD 2674/4885GUSB 599/4885

“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.