SCHEMBL6763673

SCHEMBL6763673

O=C(Cn1ccnn1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.59
CYP1A1 P04798 2/20 0.56
HPGD P15428 2/20 0.47
SRC P12931 1/20 0.47
MGAM O43451 1/20 0.46
AMY1A P0DUB6 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
RAB9A P51151 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
POLB P06746 1/20 0.46
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLOD1 Q02809 1/20 0.44

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
SCHEMBL10362137 0.83 CYP19A1 (0.61) CYP19A1MGAMAMY1AGAASI
SCHEMBL28821067 0.83 CYP19A1 (0.54) CYP19A1CYP1A1ALDH1A1
SCHEMBL8124462 0.81 NOTUM (0.47) CYP19A1
SCHEMBL4983149 0.77 HTT (0.53) HPGDSRCMGAMAMY1AGAA
SCHEMBL11236728 0.77 CYP19A1 (0.56) CYP19A1CYP1A1
SCHEMBL9284133 0.77 CYP19A1 (0.58) CYP19A1CYP1A1ALDH1A1HIF1A
SCHEMBL11236730 0.77 CYP19A1 (0.56) CYP19A1CYP1A1
SCHEMBL7792067 0.76 ALPG (0.61) HPGDSRCMGAMAMY1AGAA
SCHEMBL11565149 0.76 TP53 (0.50) CYP19A1CYP1A1GAARAB9AALDH1A1
SCHEMBL369390 0.75

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025003984-A1 INHIBITORS OF HEME OXYGENASE, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-01-02 WO claimed
EP-3250036-B1 SMALL MOLECULE INHIBITORS OF FIBROSIS SCRIPPS RESEARCH INST (US) 2021-05-12 EP disclosed
US-10336735-B2 Small molecule inhibitors of fibrosis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-02 US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 US disclosed
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE SCRIPPS RESEARCH INSTITUTE 2017-12-21 US disclosed
WO-2016094570-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-06-16 WO disclosed
US-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-03 US disclosed
US-6743924-B2 EFFICIENT, HIGH YEILD SYNTHESIS OF TYROSINE KINASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-06-01 US disclosed
EP-1310491-A1 METHOD FOR PRODUCING 1-SUBSTITUTED-1,2,3-TRIAZOLE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1001947-A1 PROCESS FOR MANUFACTURING FLUCONAZOLE DAE WOONG PHARMACEUTICAL CO., LTD. (KR) 2000-05-24 EP disclosed
WO-1998032744-A1 PROCESS FOR MANUFACTURING FLUCONAZOLE DAE WOONG PHARMACEUTICAL CO., LTD. (KR) 1998-07-30 WO disclosed
US-5187179-A Hypotensive agents MERCK & CO., INC. (US) 1993-02-16 US disclosed
EP-0505111-A2 Angiotensin II antagonists incorporating a substituted imidazo (1,2-b)(1,2,4) triazole MERCK & CO. INC. (US) 1992-09-23 EP disclosed
EP-0123931-B1 FURAN DERIVATIVES HAVING FUNGICIDE ACTIVITY Montedison S.p.A. (IT) 1988-12-21 EP disclosed
EP-0123931-A2 Furan derivatives having fungicide activity Montedison S.p.A. (IT) 1984-11-07 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 (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-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives ABL1, ROS1, ADH1A CYP19A1 647/4885CYP1A1 216/4885HPGD 1775/4885
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative ABL1, YES1, MAP3K1 CYP19A1 686/4885CYP1A1 264/4885HPGD 1686/4885
US-10336735-B2 Small molecule inhibitors of fibrosis MMP1, COL2A1, MMP8 CYP19A1 4653/4885CYP1A1 4398/4885HPGD 1026/4885
US-20170362211-A1 SMALL MOLECULE INHIBITORS OF FIBROSIS MMP1, COL2A1, MMP8 CYP19A1 4653/4885CYP1A1 4398/4885HPGD 1026/4885

“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.