SCHEMBL7528095

SCHEMBL7528095

N#Cc1ccc(N2CCCC(CO)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAP4K4 O95819 1/20 0.40
KHK P50053 1/20 0.40
JAK2 O60674 1/20 0.39
SYK P43405 1/20 0.39
GRM3 Q14832 2/20 0.39

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
SCHEMBL21136632 1.00 MEN1 (0.47) MEN1KDM4EALDH1A1POLBTP53
SCHEMBL21135569 1.00 MEN1 (0.47) MEN1KDM4EALDH1A1POLBTP53
SCHEMBL31753332 0.84 HRH3 (0.48) MEN1KDM4EPOLBTP53HRH3
SCHEMBL9176367 0.81 KDM4E (0.53) KDM4EPOLBTP53HRH3CHRNA10
SCHEMBL25855629 0.81 ESR1 (0.45) POLBMAP4K4KHKJAK2SYK
SCHEMBL21135466 0.80 CYP3A4 (0.56) KDM4EALDH1A1TP53MAP4K4JAK2
SCHEMBL21135458 0.80 NOTUM (0.49) MEN1ALDH1A1MAP4K4JAK2SYK
SCHEMBL7790528 0.80 EPHX2 (0.51) PIK3CAMTORMAP4K4KHKJAK2
SCHEMBL77035 0.80 KDM4E (0.49) MEN1KDM4EALDH1A1POLBTP53
SCHEMBL14637983 0.80 AR (0.50) MEN1KDM4EALDH1A1TP53HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371196-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF PLATELET AGGREGATION UNIV MONTREAL (CA) 2021-10-27 EP disclosed
US-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 US disclosed
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 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 (2 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 MEN1 1966/4885KDM4E 2886/4885ALDH1A1 1559/4885
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL MEN1 1099/4885KDM4E 2757/4885ALDH1A1 1807/4885

“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.