SCHEMBL25458487

SCHEMBL25458487

O[C@H]1CCN(c2cc(-c3ccc(F)nc3)nc(-c3cccnc3)n2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ CYP2C9 P11712 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ PIM1 P11309 8/20 0.46
▸ ROS1 P08922 4/20 0.45
▸ ABL1 P00519 2/20 0.43

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
SCHEMBL28894555 1.00 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL30085664 1.00 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL28895054 0.85 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL30085469 0.85 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL30085813 0.85 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL30085759 0.85 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL28894583 0.85 PIK3CA (0.43) PIK3CAABL1
SCHEMBL28894738 0.85 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL30085497 0.85 PIK3CA (0.43) PIK3CAABL1
SCHEMBL28894953 0.85 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115397818-A Aminopyrimidine derivatives and their use as modulators of arene receptors 东亚ST株式会社 2022-11-25 — — CN claimed
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 CYP3A4 681/4885CYP2D6 195/4885CYP2C9 816/4885

“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.

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