SCHEMBL460058

SCHEMBL460058

c1ccc(Cc2ncccn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.55
TAAR1 Q96RJ0 3/20 0.54
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MET P08581 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TRPA1 O75762 1/20 0.43
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
PAX8 Q06710 1/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL8654460 0.97 CALM1 (0.52) CALM1TAAR1HSD17B10L3MBTL1MEN1
Ammonia Solution, Strong SCHEMBL27509627 0.97 CALM1 (0.52) CALM1TAAR1HSD17B10L3MBTL1MEN1
Methoxyamine SCHEMBL27403250 0.87 TAAR1 (0.44) CALM1TAAR1HSD17B10L3MBTL1MEN1
SCHEMBL30285062 0.81 HRH3 (0.54) HRH3
SCHEMBL2163588 0.80 CALM1 (0.50) CALM1TAAR1L3MBTL1MEN1KMT2A
SCHEMBL95081 0.80 CALM1 (0.44) CALM1TAAR1HSD17B10L3MBTL1MEN1
SCHEMBL2697397 0.78 CALM1 (0.48) CALM1TAAR1L3MBTL1MEN1KMT2A
SCHEMBL11307416 0.78 L3MBTL1 (0.60) HSD17B10L3MBTL1MEN1KMT2ATSHR
SCHEMBL2634509 0.78 PARP1 (0.44) TAAR1MEN1KMT2ACYP1A2NPC1
SCHEMBL20659171 0.78 L3MBTL1 (0.37) CALM1TAAR1HSD17B10L3MBTL1MEN1

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 1527 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930525-A Anti-amide herbicide benzyl pyrimidine compound suitable for seed coating and application thereof 江苏里下河地区农业科学研究所 2025-05-06 CN claimed
CN-118666758-A Anti-melanoma benzyl pyrimidine compound and preparation method and application thereof 中国医科大学附属盛京医院 2024-09-20 CN claimed
CN-116391047-A Mass spectrometry-based methods and kits for nucleic acid detection and disease diagnosis YYZ医药科技有限公司 2023-07-04 CN claimed
EP-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP claimed
CN-109996804-B Squalamine amide derivatives for the treatment of infections 维克公司 2022-04-08 CN claimed
EP-3512865-B1 ESTERS OF 3-POLYAMINE DERIVATIVES OF BILE ACIDS FOR THE TREATMENT OF INFECTIONS VIRBAC (FR) 2021-05-05 EP claimed
EP-3512864-B1 AMIDE DERIVATIVES OF SQUALAMINE FOR THE TREATMENT OF INFECTIONS VIRBAC (FR) 2021-01-20 EP claimed
US-10543258-B2 Antibacterial composition containing ADK protein as active ingredient, or composition for preventing or treating sepsis KONKUK UNIVERSITY GLOCAL INDUSTRY-ACADEMIC COLLABORATION FOUNDATION (KR) 2020-01-28 US claimed
US-20190262362-A1 AMIDE DERIVATIVES OF SQUALAMINE FOR THE TREATMENT OF INFECTIONS VIRBAC (FR) 2019-08-29 US claimed
US-20190255073-A1 ESTERS OF 3-POLYAMINE DERIVATIVES OF BILE ACIDS FOR THE TREATMENT OF INFECTIONS VIRBAC (FR) 2019-08-22 US claimed
EP-0054756-B1 ANTIBACTERIAL BENZYLPYRIMIDINES THE WELLCOME FOUNDATION LIMITED (GB) 1986-07-23 EP claimed
EP-0032395-B1 BENZYLPYRIMIDINES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-03-23 EP claimed
EP-0003212-B1 2.4-DIAMINO-5-BENZYLPYRIMIDINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-17 EP claimed
EP-0032395-A1 Benzylpyrimidines F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-07-22 EP claimed
US-4279899-A MICROBIOCIDES BASF AKTIENGESELLSCHAFT (DE) 1981-07-21 US claimed
US-4260602-A FOR INHIBITING ALLERGIC REACTION TO DRUG BURROUGHS WELLCOME CO. (US) 1981-04-07 US claimed
US-4189581-A BACTERICIDES, POTENTIATORS OF SULFA DRUGS BASF AKTIENGESELLSCHAFT (DE) 1980-02-19 US claimed
EP-0003212-A1 2.4-Diamino-5-benzylpyrimidines, pharmaceutical compositions containing them and their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-08-08 EP claimed
US-4137411-A Preparation of 2,4-diamino-5-(4-amino-3,5-substituted-benzyl)-pyrimidines HOFFMANN-LA ROCHE INC. (US) 1979-01-30 US claimed
EP-0000334-A1 2,4-Diamino-5-benzyl-pyrimidines, process for their preparation and medicines containing them BASF Aktiengesellschaft (DE) 1979-01-24 EP claimed

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-10543258-B2 Antibacterial composition containing ADK protein as active ingredient, or composition for preventing or treating sepsis ADK, AAK1, ADCK1 CALM1 1626/4885TAAR1 3333/4885HSD17B10 3540/4885
US-20190262362-A1 AMIDE DERIVATIVES OF SQUALAMINE FOR THE TREATMENT OF INFECTIONS SUCNR1, GLRA1, SRR CALM1 1925/4885TAAR1 74/4885HSD17B10 1056/4885
US-20190255073-A1 ESTERS OF 3-POLYAMINE DERIVATIVES OF BILE ACIDS FOR THE TREATMENT OF INFECTIONS GPBAR1, NR1H4, ESRRA CALM1 2927/4885TAAR1 20/4885HSD17B10 536/4885

“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.