SCHEMBL22324842

SCHEMBL22324842

FC(F)(F)c1ccnc(C2CCN(c3cn[nH]c3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 11/20 0.41
▸ ADRB1 P08588 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ LCAT P04180 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL22325025 0.78 ADRB1 (0.42) MAP3K12ADRB1DGAT1MAPK1LCAT
SCHEMBL2338512 0.76 NOS3 (0.50) MAP3K12ADRB1MAPK1
SCHEMBL22324882 0.76 LCAT (0.40) CYP3A4LCATHRH3
SCHEMBL21037498 0.75 MAP3K12 (0.55) MAP3K12ADRB1MAPK1
SCHEMBL5577921 0.73 ALDH1A1 (0.60) HRH3
SCHEMBL28284245 0.73 NOS3 (0.47) MAP3K12ADRB1MAPK1
SCHEMBL7074219 0.72 MAPK1 (0.58) MAP3K12ADRB1MAPK1
SCHEMBL21037497 0.72 HRH3 (0.48) MAP3K12ADRB1HRH3
SCHEMBL28282678 0.72 NOS3 (0.46) MAP3K12ADRB1MAPK1
SCHEMBL22324843 0.71 GRM2 (0.37) LCAT

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-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 — — US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 — — US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 — — US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 — — WO disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 — — WO 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 (2 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 MAP3K12 1751/4885ADRB1 2411/4885DGAT1 1023/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 MAP3K12 1751/4885ADRB1 2411/4885DGAT1 1023/4885

“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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