Sugi Predict

Sugi Predict / Compounds / SCHEMBL4422167

SCHEMBL4422167

SCHEMBL4422167

CSc1nc(-c2cccc(N)c2)c2c(N)c(C(=O)NC(C)(C)C)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 9/20 0.55
▸ TSHR P16473 2/20 0.53
▸ FSHR P23945 2/20 0.45
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1E P49674 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL4430421 0.91 LHCGR (0.66) LHCGRTSHRFSHRCSNK1DCSNK1E
SCHEMBL4423875 0.89 LHCGR (0.69) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL4432379 0.87 LHCGR (0.43) LHCGRTSHRFSHRCSNK1DCSNK1E
SCHEMBL4423221 0.85 LHCGR (0.41) LHCGRTSHRFSHRLMNAALDH1A1
SCHEMBL5034074 0.85 LHCGR (0.51) LHCGRTSHRFSHRLMNA
SCHEMBL4425812 0.85 LHCGR (0.49) LHCGRTSHRFSHRLMNAALDH1A1
SCHEMBL27502615 0.80 LHCGR (0.50) LHCGRTSHRFSHR
SCHEMBL4421572 0.80 SMN1; SMN2 (0.50) LHCGRTSHRCSNK1DALDH1A1L3MBTL1
SCHEMBL4421168 0.79 LHCGR (0.84) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL27502613 0.78 LHCGR (0.63) LHCGRTSHRFSHRPOLBMEN1

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-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 — — US disclosed
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 — — EP disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 — — US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 — — US disclosed
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 — — CN disclosed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 — — CN disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 — — US disclosed
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 — — EP disclosed
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 — — 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 (2 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 13/4885TSHR 1000/4885FSHR 3/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885FSHR 3/4885

“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.