SCHEMBL25458352

SCHEMBL25458352

Clc1ccc(-c2cc(Cl)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
CYP2A6 P11509 2/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.46

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
SCHEMBL30085876 1.00 CYP19A1 (0.51) CYP19A1NPC1RAB9ACYP2A6KDM4E
SCHEMBL25458413 0.88 ALDH1A1 (0.54) CYP19A1NPC1RAB9ACYP2A6KDM4E
SCHEMBL22037554 0.86 CYP19A1 (0.57) CYP19A1NPC1RAB9ACYP2A6KDM4E
SCHEMBL4631802 0.85 SMN1; SMN2 (0.57) CYP19A1NPC1CYP2A6KDM4EALDH1A1
SCHEMBL30579341 0.85 SMN1; SMN2 (0.57) CYP19A1NPC1CYP2A6KDM4EALDH1A1
SCHEMBL25459772 0.84 S1PR1 (0.53) CYP19A1NPC1RAB9ACYP2A6KDM4E
SCHEMBL30085885 0.84 S1PR1 (0.53) CYP19A1NPC1RAB9ACYP2A6KDM4E
SCHEMBL29620543 0.83 CYP19A1 (0.57) CYP19A1NPC1RAB9ACYP2A6KDM4E
SCHEMBL21689664 0.83 CYP19A1 (0.57) CYP19A1NPC1RAB9ACYP2A6KDM4E
SCHEMBL29620544 0.83 CYP19A1 (0.57) CYP19A1NPC1RAB9ACYP2A6KDM4E

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
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS DONG-A ST CO., LTD. (KR) 2023-05-18 US disclosed
EP-4126839-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS Dong-A ST Co., Ltd. (KR) 2023-02-08 EP disclosed
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 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 (1 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-20230150970-A1 AMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS ARYL HYDROCARBON RECEPTOR MODULATORS AHR, ARNT, AIPL1 CYP19A1 559/4885NPC1 3259/4885RAB9A 4175/4885

“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.