SCHEMBL1016773

SCHEMBL1016773

Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
CYP3A4 P08684 3/20 0.67
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LMNA P02545 2/20 0.67
CYP2D6 P10635 1/20 0.67
CHRM1 P11229 1/20 0.67
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
KCNA1 Q09470 1/20 0.67
CYP17A1 P05093 1/20 0.67
CYP19A1 P11511 1/20 0.67
CYP11B1 P15538 1/20 0.67
CYP11B2 P19099 1/20 0.67
TDP1 Q9NUW8 2/20 0.65
TP53 P04637 2/20 0.65
RAD52 P43351 1/20 0.54
PRKCZ Q05513 1/20 0.54

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
SCHEMBL18745789 1.00 MAPT (0.67) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL4442125 0.97 CYP3A4 (0.64) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL18745800 0.86 CYP3A4 (0.53) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL18745703 0.86 CYP3A4 (0.58) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL10000032 0.84 MAPT (0.92) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL135626 0.84 MAPT (0.92) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
Benzidine SCHEMBL28084578 0.83 CYP3A4 (0.62) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL18448794 0.83 ALDH1A1 (0.52) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL9098509 0.82 NPC1 (0.80) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1
SCHEMBL9098395 0.82 NPC1 (0.80) MAPTCYP3A4ALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117577828-B Long-cycle lithium battery positive electrode material and preparation method thereof 智泰新能源(东台)有限公司 2024-03-19 CN claimed
CN-117577828-A Long-cycle lithium battery positive electrode material and preparation method thereof 智泰新能源(东台)有限公司 2024-02-20 CN claimed
CN-116970179-A Preparation and application of heteropoly acid-triarylamine double-active-center metal organic framework with photocatalysis alpha-amino C-H functionalization performance 大连理工大学 2023-10-31 CN claimed
CN-116903857-A Pyridine ion porous organic polymer, preparation method and application thereof 浙江工业大学 2023-10-20 CN claimed
CN-116496304-A Cadmium-based metal organic complex with thermochromic performance, and preparation method and application thereof 常州大学 2023-07-28 CN claimed
CN-114409919-B Super-tetrahedral cluster-based coordination polymer material and preparation method and application thereof 平顶山学院 2023-02-07 CN claimed
CN-114409919-A Super-tetrahedral cluster-based coordination polymer material and preparation method and application thereof 平顶山学院 2022-04-29 CN claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
US-4600678-A CHROMOGENS, PHOTOINITIATORS, FREE RADICAL ADDITION POLYMERIZABLE MATERIAL THE MEAD CORPORATION (US) 1986-07-15 US claimed
US-4377585-A Use of 4-[4(or 3)-aminophenyl]pyridines as cardiotonic agents STERLING DRUG INC. (US) 1983-03-22 US claimed
US-3994903-A Preparation of 4-(3-nitrophenyl)pyridine STERLING DRUG INC. (US) 1976-11-30 US claimed
US-3985376-A Dye precursors for pressure-sensitive recording material BASF AKTIENGESELLSCHAFT (DT) 1976-10-12 US claimed
EP-4737448-A1 SARM1 ENZYME ACTIVITY INHIBITOR AND USE THEREOF Artivila (ShenZhen) Innovation Center, Ltd. (CN) 2026-05-06 EP disclosed
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2026-03-31 US disclosed
US-3985376-A Dye precursors for pressure-sensitive recording material BASF AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed
US-3985376-A Dye precursors for pressure-sensitive recording material BASF AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed
US-3943125-A Substituted tetraamino heterocyclic compounds, useful in the preparation of substituted polybenzimidazoles and poly-imidazopyrrolones HORIZONS INCORPORATED, A DIVISION OF HORIZONS RESEARCH INCORPORATED (US) 1976-03-09 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 (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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 MAPT 4385/4885CYP3A4 3027/4885ALDH1A1 2102/4885
US-12590071-B2 Hydrazone derivative in which terminal amine group is substituted with aryl group or heteroaryl group, and use thereof ABL1, TH, CYP3A43 MAPT 3633/4885CYP3A4 27/4885ALDH1A1 1008/4885
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 MAPT 4572/4885CYP3A4 1209/4885ALDH1A1 1277/4885

“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.