SCHEMBL96479

SCHEMBL96479

O=[C]c1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.64
IMPDH1 P20839 1/20 0.64
PRKD3 O94806 1/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
ABL1 P00519 1/20 0.48
PRKCG P05129 1/20 0.48
PRKCB P05771 1/20 0.48
CDK1 P06493 1/20 0.48
PIM1 P11309 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
PRKCA P17252 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
CCND1 P24385 1/20 0.48
PRKCH P24723 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL17506602 0.82 IMPDH2 (0.69) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL30277938 0.78 IMPDH2 (0.64) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL5130557 0.78 IMPDH2 (0.64) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL186741 0.78 IMPDH2 (1.00) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL3769477 0.78 IMPDH2 (0.64) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL1752696 0.78 IMPDH2 (0.64) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL29820843 0.78 IMPDH2 (1.00) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL7237886 0.78 IMPDH2 (0.64) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL4736533 0.78 IMPDH2 (0.64) IMPDH2IMPDH1PRKD3CCNB2CCNE2
Hydrochloric Acid SCHEMBL7697252 0.77 IMPDH2 (0.96) IMPDH2IMPDH1PRKD3CCNB2CCNE2

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 238 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925369-B Beta-carboline cyano furan derivatives, preparation method and application thereof 南通大学 2021-09-28 CN claimed
WO-2020231766-A1 AGONISTS OF ROR GAMMAt BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-19 WO claimed
CN-111925369-A Beta-carboline cyano furan derivatives, preparation method and application thereof 南通大学 2020-11-13 CN claimed
CN-108026073-A Fluoroindole derivatives as muscarinic M 1 receptor forward direction allosteric modulators 苏文生命科学有限公司 2018-05-11 CN claimed
US-7994335-B2 Electronically tuned ligands for asymmetric hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-09 US claimed
US-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US claimed
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-01-22 US claimed
WO-2008128038-A2 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-23 WO claimed
WO-2008067218-A1 ELECTRONICALLY TUNED LIGANDS FOR ASYMMETRIC HYDROGENATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-05 WO claimed
EP-1761542-B1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS HOFFMANN LA ROCHE (CH) 2008-01-02 EP claimed
EP-0676411-A2 Peptides and pseudopeptides derived from tachykinine, their preparation and their pharmaceutical compositions ADIR ET COMPAGNIE (FR) 1995-10-11 EP claimed
EP-0517589-A2 Tachykinin derivatives, their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-12-09 EP claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0429984-A2 Indole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-05 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
US-3980667-A Anti-arrhythmic 5-endo-substituted oxy-N-(aminoloweralkyl)bicycle [2.2.2.]oc BRISTOL-MYERS COMPANY (US) 1976-09-14 US claimed

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-20100041898-A1 Electronically Tuned Ligands For Asymmetric Hydrogenation BID, HDHD5, HRH4 IMPDH2 2561/4885IMPDH1 3359/4885PRKD3 3586/4885
US-20090022729-A1 METHODS AND COMPOSITIONS FOR TREATING CARDIAC DYSFUNCTIONS TNNI3, MYLK2, FABP3 IMPDH2 3325/4885IMPDH1 2934/4885PRKD3 448/4885

“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.