SCHEMBL25459772

SCHEMBL25459772

FC(F)(F)c1ccc(-c2cc(Cl)nc(-c3cccnc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPY5R Q15761 1/20 0.47
DGAT1 O75907 1/20 0.46
KCNH2 Q12809 1/20 0.46
TOP1 P11387 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HTT P42858 1/20 0.45
PSD A5PKW4 1/20 0.43
CYP2A6 P11509 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30085885 1.00 S1PR1 (0.53) S1PR1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL3567928 0.86 S1PR1 (0.56) S1PR1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL30085876 0.84 CYP19A1 (0.51) SMN1; SMN2NPC1RAB9ARXFP1NPY5R
SCHEMBL25458352 0.84 CYP19A1 (0.51) SMN1; SMN2NPC1RAB9ARXFP1NPY5R
SCHEMBL7228785 0.84 KIF11 (0.52) S1PR1SMN1; SMN2NPC1RAB9ATOP1
SCHEMBL28879162 0.84 ADORA3 (0.52) S1PR1SMN1; SMN2NPC1RAB9ATOP1
SCHEMBL25458413 0.82 ALDH1A1 (0.54) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL893929 0.82 S1PR1 (0.51) S1PR1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL5483622 0.81 SMN1; SMN2 (0.49) S1PR1SMN1; SMN2NPC1RAB9ARXFP1
SCHEMBL22037554 0.80 CYP19A1 (0.57) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1

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 2 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
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 S1PR1 2392/4885SMN1; SMN2 4624/4885NPC1 3259/4885

“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.