SCHEMBL29904375

SCHEMBL29904375

c1ccc(-c2cnccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.52
PIM1 P11309 1/20 0.51
CYP19A1 P11511 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
METAP2 P50579 1/20 0.50
ASIC3 Q9UHC3 1/20 0.47
KDR P35968 1/20 0.46
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL166615 1.00 CYP2A6 (0.52) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
Ammonia Solution, Strong SCHEMBL27498840 0.98 CYP2A6 (0.50) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL4552312 0.98 CYP2A6 (0.50) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6061020 0.98 CYP2A6 (0.50) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
SCHEMBL13457927 0.96 CYP19A1 (0.51) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
Pyridine SCHEMBL28875197 0.94 CYP2A6 (0.57) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
SCHEMBL9974946 0.88 PIM1 (0.48) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
SCHEMBL11541937 0.87 CYP2D6 (0.60) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
SCHEMBL9974997 0.87 PIM1 (0.47) CYP2A6PIM1CYP19A1CYP2D6CYP2C9
SCHEMBL21322286 0.86 PIM2 (0.55) CYP2A6PIM1CYP19A1PIM2METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor NIPPON SHINYAKU CO., LTD. (JP) 2025-12-30 US disclosed
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-06-12 US disclosed
US-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS UNIVERSIDADE FEDERAL DO RIO DE JANEIRO – UFRJ (BR) 2024-10-10 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
CN-115989235-A Methods of treating respiratory diseases using amino acid compounds 普利安特治疗公司 2023-04-18 CN disclosed
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-03-30 US disclosed
CN-115052604-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2022-09-13 CN 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 (6 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-20240335442-A1 N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS SCN1A, SCN7A, SCN8A CYP2A6 1128/4885PIM1 4188/4885CYP19A1 2661/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL CYP2A6 4288/4885PIM1 3130/4885CYP19A1 3939/4885
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor PDGFRA, PDGFRB, PDGFA CYP2A6 3817/4885PIM1 633/4885CYP19A1 3362/4885
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR PDGFRB, PDGFRA, PDGFA CYP2A6 3529/4885PIM1 763/4885CYP19A1 2454/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL CYP2A6 4288/4885PIM1 3130/4885CYP19A1 3939/4885
US-20250188068-A1 AMIDO CYCLOPROPYL DERIVATIVES AS LPA RECEPTOR INHIBITORS LPAR1, LPAR2, LPAR3 CYP2A6 2190/4885PIM1 2598/4885CYP19A1 2018/4885

“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.