Sugi Predict

Sugi Predict / Compounds / SCHEMBL2951841

SCHEMBL2951841

SCHEMBL2951841

c1nc2nc(C3CCCC3)ncc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CDK2 P24941 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ SCD O00767 2/20 0.35
▸ CDK1 P06493 2/20 0.34
▸ CCNB1 P14635 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ AURKA O14965 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ JAK1 P23458 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
SCHEMBL10869151 0.98 PAK1 (0.57) PAK1ALDH1A1KDM4ECDK2RXFP1
Hydrochloric Acid SCHEMBL6821631 0.98 PAK1 (0.54) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL1375993 0.97 PAK1 (0.51) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL31380702 0.85 ALDH1A1 (0.45) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL4373728 0.81 ALDH1A1 (0.44) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL2002538 0.79 PAK1 (0.48) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL9854792 0.77 ALDH1A1 (0.46) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL2388908 0.76 PAK1 (0.46) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL5872330 0.75 PAK1 (0.45) PAK1ALDH1A1KDM4ECDK2RXFP1
SCHEMBL1975456 0.75 JAK2 (0.33) PAK1AURKAJAK2PRKCAJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 — — EP claimed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 — — WO claimed
CN-103739603-A Preparation method of hepatitis B therapeutic entecavir CISEN PHARMACEUTICAL CO LTD 2014-04-23 — — CN disclosed
US-7754718-B2 Antiviral helioxanthin analogs YALE UNIVERSITY (US) 2010-07-13 — — US disclosed
US-20080167353-A1 Novel Antiviral Helioxanthin Analogs YALE UNIVERSITY (US) 2008-07-10 — — US disclosed
CN-1980657-A Novel antiviral helioxanthin analogs UNIV YALE (US) 2007-06-13 — — CN disclosed
WO-2005107742-A1 NOVEL ANTIVIRAL HELIOXANTHIN ANALOGS YALE UNIVERSITY (US) 2005-11-17 — — WO disclosed
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 — — CN disclosed
CN-1128149-C 6,9-Disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTIS PHARMA INC (US) 2003-11-19 — — CN disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 — — EP disclosed
US-6436947-B1 TO PREVENT ALLOGRAFT REJECTION; AUTOIMMUNE DISEASES DUE TO ACTION OF T-CELLS AS INSULIN-DEPENDENT DIABETES, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS; SUPPRESSION OF HUMORAL IMMUNE RESPONSE IN TREATMENT OF MYESTHENIAGRAVIS, LUPUS ERYTHEMATOSUS AVENTIS PHARMACEUTICALS INC. 2002-08-20 — — US disclosed
EP-0375183-A1 Antiviral dimers and trimers SCHERING CORPORATION (US) 1990-06-27 — — EP disclosed
WO-1990006319-A1 ANTIVIRAL DIMERS AND TRIMERS SCHERING CORPORATION (US) 1990-06-14 — — WO disclosed
WO-1989010367-A1 CYCLOPENTYL PURINE DERIVATIVES, INTERMEDIATES AND PROCESSES FOR PREPARATION SCHERING CORPORATION (US) 1989-11-02 — — WO disclosed
WO-1989010367-A1 CYCLOPENTYL PURINE DERIVATIVES, INTERMEDIATES AND PROCESSES FOR PREPARATION SCHERING CORPORATION (US) 1989-11-02 — — WO disclosed
WO-1989010367-A1 CYCLOPENTYL PURINE DERIVATIVES, INTERMEDIATES AND PROCESSES FOR PREPARATION SCHERING CORPORATION (US) 1989-11-02 — — WO disclosed
EP-0338842-A1 Cyclopentyl purine derivatives, intermediates and processes for preparation SCHERING CORPORATION (US) 1989-10-25 — — EP disclosed
EP-0338842-A1 Cyclopentyl purine derivatives, intermediates and processes for preparation SCHERING CORPORATION (US) 1989-10-25 — — EP disclosed
EP-0338842-A1 Cyclopentyl purine derivatives, intermediates and processes for preparation SCHERING CORPORATION (US) 1989-10-25 — — EP disclosed
EP-0181129-A2 N6-substituted deoxyribose analogs of adenosines WARNER-LAMBERT COMPANY (US) 1986-05-14 — — EP 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-20080167353-A1 Novel Antiviral Helioxanthin Analogs HAVCR2, ZC3HAV1, DHX35 PAK1 4218/4885ALDH1A1 1351/4885KDM4E 1857/4885

“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.