SCHEMBL29500136

SCHEMBL29500136

c1ccc(-c2cccnc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.83
ALDH1A1 P00352 2/20 0.83
CYP3A4 P08684 2/20 0.83
CYP1A2 P05177 1/20 0.83
CYP19A1 P11511 2/20 0.65
MKNK1 Q9BUB5 4/20 0.63
MKNK2 Q9HBH9 4/20 0.63
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CYP11B2 P19099 2/20 0.59
KIF11 P52732 1/20 0.59
CYP17A1 P05093 1/20 0.59
CYP11B1 P15538 1/20 0.59

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
SCHEMBL16405704 1.00 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
Biphenyl SCHEMBL28338714 1.00 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL141605 1.00 CYP2A6 (0.83) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL3400752 0.97 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL29234687 0.97 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL29468039 0.97 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL32679826 0.97 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL31124557 0.97 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL31588397 0.97 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1
SCHEMBL30963953 0.97 CYP2A6 (0.79) CYP2A6ALDH1A1CYP3A4CYP1A2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor NIPPON SHINYAKU CO., LTD. (JP) 2025-12-30 US disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use JANSSEN PHARMACEUTICA NV (BE) 2024-08-20 US disclosed
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-06-06 US disclosed
CN-117820253-A 3, 6-disubstituted benzothiazole compound and synthesis and application thereof 西北农林科技大学 2024-04-05 CN disclosed
CN-112375067-B Substituted 2-anilinopyrimidine derivatives and their use as epidermal growth factor receptor modulators 贝达医药公司 2024-03-15 CN disclosed
CN-112687815-B Organic light emitting diode and organic light emitting device including the same 乐金显示有限公司 2024-03-15 CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
CN-116947843-A 3, 5-disubstituted benzothia (oxa) azole compounds, synthesis and application thereof 西北农林科技大学 2023-10-27 CN disclosed
CN-116848107-A Compounds and their use as PDE4 activators 米罗尼德有限公司 2023-10-03 CN disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 US disclosed
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR NIPPON SHINYAKU CO., LTD. (JP) 2023-03-30 US disclosed
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 US disclosed
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use JANSSEN PHARMACEUTICA NV (BE) 2022-05-03 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 (11 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-12065446-B2 Inhibitors of Bruton's tyrosine kinase and method of their use ABL1, BTK, LYN CYP2A6 3762/4885ALDH1A1 4036/4885CYP3A4 3311/4885
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 CYP2A6 1643/4885ALDH1A1 2214/4885CYP3A4 2600/4885
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 CYP2A6 1570/4885ALDH1A1 2330/4885CYP3A4 1322/4885
US-12509424-B2 Compound and composition as PDGF receptor kinase inhibitor PDGFRA, PDGFRB, PDGFA CYP2A6 3817/4885ALDH1A1 1938/4885CYP3A4 4446/4885
US-20230097422-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN CYP2A6 3762/4885ALDH1A1 4036/4885CYP3A4 3311/4885
US-20240180886-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 CYP2A6 2027/4885ALDH1A1 3561/4885CYP3A4 3555/4885
US-20230101484-A1 COMPOUND AND COMPOSITION AS PDGF RECEPTOR KINASE INHIBITOR PDGFRB, PDGFRA, PDGFA CYP2A6 3529/4885ALDH1A1 2989/4885CYP3A4 4501/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CYP2A6 4516/4885ALDH1A1 4385/4885CYP3A4 4397/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 CYP2A6 3665/4885ALDH1A1 3122/4885CYP3A4 3921/4885
US-11319329-B2 Inhibitors of Bruton's tyrosine kinase and methods of their use ABL1, BTK, MYLK2 CYP2A6 4169/4885ALDH1A1 3938/4885CYP3A4 3769/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CYP2A6 4365/4885ALDH1A1 4472/4885CYP3A4 3633/4885

“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.