SCHEMBL6760656

SCHEMBL6760656

c1ccc(Cn2nccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 1.00
L3MBTL1 Q9Y468 4/20 0.53
RAB9A P51151 2/20 0.53
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
TBXAS1 P24557 1/20 0.47
QPCT Q16769 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
NPC1 O15118 1/20 0.46
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
ELANE P08246 1/20 0.44
CTSG P08311 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
SCHEMBL7674614 0.76 CYP19A1 (0.59) CYP19A1L3MBTL1RAB9ACYP11B1CYP11B2
SCHEMBL10194247 0.76 CYP19A1 (0.61) CYP19A1RAB9ACYP11B1CYP11B2CYP1A2
SCHEMBL6761768 0.76 CYP19A1 (0.61) CYP19A1RAB9AMAPTSIGMAR1NPC1
SCHEMBL7630007 0.76 CYP19A1 (0.61) CYP19A1L3MBTL1CYP1A2POLBCYP3A4
SCHEMBL3142438 0.76 CYP19A1 (0.61) CYP19A1L3MBTL1CYP11B1CYP11B2CYP3A4
SCHEMBL1582393 0.76 CYP19A1 (0.61) CYP19A1CYP11B1CYP11B2MAPTIDO1
SCHEMBL17610794 0.76 CYP19A1 (0.61) CYP19A1RAB9ACYP11B1CYP11B2POLB
SCHEMBL13036058 0.74 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL16102428 0.74 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2MAPTIDO1
SCHEMBL8802431 0.74 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646198-A MIXTURE INCLUDES POLYMER, BENZOTRIAZOLE OR TRIAZOLE COMPOUND, AND COMPOUND WITH HYDROPHOBIC AND HYDROPHILIC PARTS; STORAGE STABILITY; MARINE STRUCTURES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-08 US claimed
EP-3194374-B1 TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2018-08-01 EP disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
WO-2006114371-A1 NOVEL COMPOUNDS FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-02 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-0711813-B1 Antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 2001-07-25 EP disclosed
US-5773508-A BIODEGRADABLE POLYMER OF ADDITION COPOLYMERS FOR PROTECTIVE COATINGS HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-06-30 US disclosed
EP-0608131-B1 Resin composition and antifouling paint HITACHI CHEMICAL CO LTD (JP) 1998-06-17 EP disclosed
EP-0608132-B1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO LTD (JP) 1998-05-20 EP disclosed
US-5646198-A MIXTURE INCLUDES POLYMER, BENZOTRIAZOLE OR TRIAZOLE COMPOUND, AND COMPOUND WITH HYDROPHOBIC AND HYDROPHILIC PARTS; STORAGE STABILITY; MARINE STRUCTURES HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-08 US disclosed
EP-0711813-A2 Coating varnish composition and antifouling coating composition Hitachi Chemical Co., Ltd. (JP) 1996-05-15 EP disclosed
US-5439511-A Composition containing polymer obtained by polymerizing unsaturated acid anhydride and another unsaturated compound, specified additive HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
US-5439512-A Contains a triazole, thiadiazole or benzotriazole derivative HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-08-08 US disclosed
EP-0659848-A2 Coating composition and antifouling paint Hitachi Chemical Co., Ltd. (JP) 1995-06-28 EP disclosed
EP-0608131-A1 Resin composition and antifouling paint HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 EP disclosed
EP-0608132-A1 Coating varnish composition and antifouling coating composition HITACHI CHEMICAL CO., LTD. (JP) 1994-07-27 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 (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-20040106803-A1 Production method of 1-substituted-1,2,3-triazole derivatives ABL1, ROS1, ADH1A CYP19A1 647/4885L3MBTL1 3991/4885RAB9A 3365/4885
US-20030069419-A1 Method for producing 1-substituted-1,2,3- triazole derivative ABL1, YES1, MAP3K1 CYP19A1 686/4885L3MBTL1 3728/4885RAB9A 3430/4885

“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.