Sugi Predict

Sugi Predict / Compounds / SCHEMBL3960929

SCHEMBL3960929

SCHEMBL3960929

c1cc(NC2CCNCC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ROCK1 Q13464 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ HTR6 P50406 5/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40
▸ PRKCZ Q05513 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ ATAD2 Q6PL18 1/20 0.40

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
Hydrochloric Acid SCHEMBL30958672 0.98 HRH3 (0.46) HRH3ROCK1MAPK1MKNK1MKNK2
SCHEMBL639635 0.89 PRKCI (0.49) PLK4PRKCZITK
SCHEMBL639634 0.89 PRKCI (0.49) PLK4PRKCZITK
SCHEMBL14416945 0.89 PRKCI (0.49) PLK4PRKCZITK
SCHEMBL10372739 0.85 CTSD (0.48) ROCK1ROCK2CTSDKMT2A
Tert-Butyl Formate SCHEMBL27552068 0.82 HTR6 (0.36) HRH3ROCK1MAPK1PIM1HTR6
SCHEMBL11175342 0.81 EPHX1 (0.53) ROCK1MAPK1MKNK2ALDH1A1HSD17B10
SCHEMBL11169098 0.81 EPHX1 (0.49) ROCK1MAPK1MKNK2ALDH1A1HSD17B10
SCHEMBL25451316 0.79 EPHX1 (0.56) ROCK1MAPK1MKNK1MKNK2ALDH1A1
SCHEMBL11498081 0.79 EPHX1 (0.56) ROCK1MAPK1MKNK1MKNK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843879-B Benzothiazole derivatives as DYRK1 inhibitors 药物治疗股份有限公司 2023-05-02 — — CN disclosed
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 — — US disclosed
US-9586928-B2 Modulators of the nuclear hormone receptor ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2017-03-07 — — US disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 — — EP disclosed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 — — EP disclosed
US-20140187554-A1 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-03 — — US disclosed
WO-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 — — WO disclosed
WO-2012158784-A2 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR KAMENECKA THEODORE MARK (US) 2012-11-22 — — WO disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 — — US disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 — — US disclosed
CN-1481358-A Amide derivatives and their use in the treatment of thromboembolic disorders and tumours Ĭ��ר���ɷ����޹�˾ 2004-03-10 — — CN disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 — — US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — WO disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 — — EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 — — US disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 — — EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 — — WO disclosed
EP-0808306-B1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1999-08-04 — — EP disclosed
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 — — US 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 (4 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 HRH3 157/4885ROCK1 99/4885MAPK1 3302/4885
US-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 HRH3 3175/4885ROCK1 2324/4885MAPK1 3481/4885
US-20140187554-A1 MODULATORS OF THE NUCLEAR HORMONE RECEPTOR ROR RORB, RORA, RORC HRH3 720/4885ROCK1 534/4885MAPK1 1997/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 HRH3 501/4885ROCK1 80/4885MAPK1 2914/4885

“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.