SCHEMBL721736

SCHEMBL721736

c1cc(Cc2ccncc2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 8/20 0.61
CYP11B1 P15538 7/20 0.61
CYP11B2 P19099 7/20 0.61
CYP3A4 P08684 5/20 0.61
CYP19A1 P11511 4/20 0.61
LOXL2 Q9Y4K0 2/20 0.58
POLB P06746 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HRH4 Q9H3N8 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL13873567 0.97 CYP17A1 (0.65) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL14257671 0.91 CYP17A1 (0.54) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL9512609 0.88 CALM1 (0.67) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL432308 0.88 CALM1 (0.67) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
Ammonia Solution, Strong SCHEMBL6000295 0.86 CALM1 (0.63) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
Bromide SCHEMBL21658864 0.86 CALM1 (0.63) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL29452943 0.86 CALM1 (0.63) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
Hydrochloric Acid SCHEMBL28806112 0.86 CALM1 (0.63) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL23396882 0.84 CYP11B1 (0.48) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1
SCHEMBL171160 0.84 CYP17A1 (0.54) CYP17A1CYP11B1CYP11B2CYP3A4CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3933800-A O-SUBSTITUTED OXIMES, MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1976-01-20 US claimed
US-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders Smilebiotek Zhuhai Limited (CN) 2024-06-25 US disclosed
CN-118059541-A Application of metal organic framework material as 1, 3-butadiene adsorbent and method for adsorbing and separating carbon-tetrahydrocarbon mixture 浙江大学 2024-05-24 CN disclosed
US-11697884-B2 Copper deposition in wafer level packaging of integrated circuits MACDERMID ENTHONE INC. (US) 2023-07-11 US disclosed
US-11697884-B2 Copper deposition in wafer level packaging of integrated circuits MACDERMID ENTHONE INC. (US) 2023-07-11 US disclosed
EP-3419963-B1 USE OF BISPYRIDINES TO IMPROVE LABELING OF NUCLEOPHILES AGILENT TECHNOLOGIES INC (US) 2022-08-10 EP disclosed
CN-108884030-B Improved labeling of nucleophiles using bipyridines 安捷伦科技有限公司 2022-06-28 CN disclosed
US-20220143201-A1 COMPOSITION COMPRISING A POLYMERIC REAGENT NEKTAR THERAPEUTICS (US) 2022-05-12 US disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
CN-114420633-A Copper deposition in wafer level packaging of integrated circuits 麦克德米德乐思公司 2022-04-29 CN disclosed
EP-0676437-B1 USE OF POLYCATIONIC POLYMER AS BACTERICIDAL/ALGICIDAL AGENT SAGAMI CHEM RES (JP) 1999-09-08 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5616317-A HETEROCYCLIC NITROGEN POLYMER SAGAMI CHEMICAL RESEARCH CENTER (JP) 1997-04-01 US disclosed
EP-0676437-A1 POLYCATIONIC POLYMER AND POLYCATIONIC BACTERICIDAL/ALGICIDAL AGENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-10-11 EP disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 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 (3 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-20220143201-A1 COMPOSITION COMPRISING A POLYMERIC REAGENT CD44, FCGRT, C9 CYP17A1 1151/4885CYP11B1 3379/4885CYP11B2 3345/4885
US-12016312-B2 Animal models, screening methods, and treatment methods for intraocular diseases or disorders MB, MYOC, PDE6A CYP17A1 4028/4885CYP11B1 2284/4885CYP11B2 1925/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CYP17A1 1639/4885CYP11B1 891/4885CYP11B2 1431/4885

“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.