SCHEMBL25460158

SCHEMBL25460158

O[C@H]1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)nc(-c3cnsc3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 2/20 0.39
▸ IDH2 P48735 1/20 0.38
▸ ITGB2 P05107 4/20 0.38
▸ ICAM1 P05362 4/20 0.38
▸ ITGAL P20701 4/20 0.38
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ PDE3B Q13370 2/20 0.37
▸ PDE3A Q14432 2/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ P2RY14 Q15391 1/20 0.36
▸ SPHK2 Q9NRA0 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ TACR1 P25103 3/20 0.35
▸ TACR3 P29371 3/20 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
SCHEMBL30085387 1.00 METAP2 (0.39) METAP2IDH2ITGB2ICAM1ITGAL
SCHEMBL28895082 1.00 METAP2 (0.39) METAP2IDH2ITGB2ICAM1ITGAL
SCHEMBL25458596 0.87 NPC1 (0.38) ITGB2ICAM1ITGAL
SCHEMBL28894627 0.82 ABL1 (0.47) METAP2IDH2RAF1BRAFABL1
SCHEMBL30085487 0.82 ABL1 (0.47) METAP2IDH2RAF1BRAFABL1
SCHEMBL28894671 0.82 CYP3A4 (0.48) IDH2ABL1
SCHEMBL30085381 0.82 CYP3A4 (0.48) IDH2ABL1
SCHEMBL28894630 0.82 ABL1 (0.47) METAP2IDH2RAF1BRAFABL1
SCHEMBL28894669 0.82 CYP3A4 (0.48) IDH2ABL1
SCHEMBL25460557 0.81 PIM1 (0.48) P2RY14

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
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
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 METAP2 802/4885IDH2 1095/4885ITGB2 4232/4885

“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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