SCHEMBL13248135

SCHEMBL13248135

CCCCCn1c(=O)n(CCCCC(=O)NCc2cccc(F)c2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.51
▸ ADORA2B P29275 5/20 0.49
▸ ADORA1 P30542 5/20 0.49
▸ THRB P10828 3/20 0.49
▸ TP53 P04637 5/20 0.49
▸ MAPT P10636 3/20 0.47
▸ ADORA2A P29274 4/20 0.46
▸ ADORA3 P0DMS8 3/20 0.46
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ HTT P42858 1/20 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
SCHEMBL3113105 0.92 TP53 (0.50) ADORA2BADORA1THRBTP53MAPT
SCHEMBL13248124 0.92 TP53 (0.59) RXFP1ADORA2BADORA1THRBTP53
SCHEMBL3114338 0.91 TP53 (0.52) RXFP1ADORA2BADORA1THRBTP53
SCHEMBL13248134 0.91 TP53 (0.49) ADORA2BADORA1THRBTP53MAPT
SCHEMBL3121568 0.90 TP53 (0.49) RXFP1ADORA2BADORA1THRBTP53
SCHEMBL3120061 0.90 TP53 (0.49) RXFP1ADORA2BADORA1THRBTP53
SCHEMBL13248126 0.90 HPGD (0.51) RXFP1ADORA2BADORA1THRBTP53
SCHEMBL3115779 0.90 ADORA1 (0.54) RXFP1ADORA2BADORA1THRBTP53
SCHEMBL3118408 0.90 ADORA2B (0.48) ADORA2BADORA1THRBTP53MAPT
SCHEMBL3115135 0.89 TP53 (0.50) ADORA2BADORA1THRBTP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — 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 (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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 RXFP1 297/4885ADORA2B 111/4885ADORA1 32/4885

“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