SCHEMBL21929338

SCHEMBL21929338

Cc1cccc(Cc2cccc(Cc3cccc(F)c3)c2F)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.53
TAAR1 Q96RJ0 4/20 0.46
IDH1 O75874 1/20 0.46
P2RX7 Q99572 2/20 0.43
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 1/20 0.41
DPP4 P27487 1/20 0.40
MAPT P10636 1/20 0.40
MPO P05164 1/20 0.40

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
SCHEMBL20257528 0.86 TAAR1 (0.49) ACHETAAR1IDH1PDE3BPDE3A
SCHEMBL20713851 0.82 ACHE (0.48) ACHETAAR1IDH1P2RX7PDE3B
SCHEMBL25609340 0.81 MAOB (0.55) ACHETAAR1IDH1IDO1AGXT
SCHEMBL16191018 0.80 TAAR1 (0.50) ACHETAAR1IDH1P2RX7PDE3B
SCHEMBL15280152 0.79 ACHE (0.48) ACHETAAR1IDH1P2RX7PDE3B
SCHEMBL28127199 0.79 ACHE (0.48) ACHETAAR1IDH1IDO1AGXT
SCHEMBL21928744 0.79 PTPN1 (0.49) ACHETAAR1IDO1MAPTMPO
SCHEMBL22897738 0.77 ACHE (0.46) ACHETAAR1IDH1IDO1AGXT
SCHEMBL22965336 0.77 ACHE (0.46) ACHETAAR1IDH1P2RX7PDE3B
SCHEMBL2094961 0.76 TAAR1 (0.48) ACHETAAR1IDO1MPO

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-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 US disclosed
US-11066411-B2 2021-07-20 US disclosed
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-04-30 US 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 (3 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-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 ACHE 1905/4885TAAR1 43/4885IDH1 4194/4885
US-11066411-B2 ADORA2A, ADORA1, ADORA2B ACHE 1479/4885TAAR1 47/4885IDH1 3801/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 ACHE 1905/4885TAAR1 43/4885IDH1 4194/4885

“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.