SCHEMBL25458549

SCHEMBL25458549

O[C@H]1CCN(c2cc(-c3ccc(Cl)cc3)nc(-c3ccnnc3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.43
▸ MCHR1 Q99705 3/20 0.42
▸ HRH4 Q9H3N8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ SGK1 O00141 3/20 0.37
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL28895005 1.00 PIK3CA (0.43) PIK3CAMCHR1HRH4KDM4ETP53
SCHEMBL30085498 1.00 PIK3CA (0.43) PIK3CAMCHR1HRH4KDM4ETP53
SCHEMBL30085558 0.88 MAPK13 (0.47) PIK3CAMCHR1HRH4KDM4ETP53
SCHEMBL28894623 0.88 MAPK13 (0.47) PIK3CAMCHR1HRH4KDM4ETP53
SCHEMBL28894626 0.88 MAPK13 (0.47) PIK3CAMCHR1HRH4KDM4ETP53
SCHEMBL30085501 0.86 CYP3A4 (0.48) PIK3CAMCHR1CYP2C9CYP2C19CYP1A2
SCHEMBL30085813 0.86 CYP3A4 (0.48) PIK3CAMCHR1CYP2C9CYP2C19CYP1A2
SCHEMBL28894953 0.86 CYP3A4 (0.48) PIK3CAMCHR1CYP2C9CYP2C19CYP1A2
SCHEMBL30085413 0.86 CYP3A4 (0.48) PIK3CAMCHR1CYP2C9CYP2C19CYP1A2
SCHEMBL28894738 0.86 CYP3A4 (0.48) PIK3CAMCHR1CYP2C9CYP2C19CYP1A2

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 3 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
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 PIK3CA 2085/4885MCHR1 1071/4885HRH4 43/4885

“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.

Send feedback