SCHEMBL20653064

SCHEMBL20653064

Cc1ccc(-c2nc3c(c(=O)n(CCCOC4CCCCO4)c(=O)n3C(C)C)n2Cc2ccccc2)c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 14/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PDE5A O76074 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL22105367 0.91 P2RX3 (0.43) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20656216 0.90 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20653053 0.89 P2RX3 (0.44) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20652775 0.88 P2RX3 (0.45) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105591 0.87 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105589 0.87 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105826 0.87 P2RX3 (0.40) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL22105735 0.86 P2RX3 (0.39) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A
SCHEMBL20652978 0.85 P2RX3 (0.47) P2RX3
SCHEMBL22105442 0.85 P2RX3 (0.41) P2RX3ALDH1A1MAPTSMN1; SMN2HIF1A

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
EP-3652176-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2021-12-15 — — EP disclosed
US-10329292-B2 Substituted xanthine derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-06-25 — — US disclosed
WO-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — 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 (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-10329292-B2 Substituted xanthine derivatives TRPC5, TRPV1, TRPC4 P2RX3 21/4885ALDH1A1 1347/4885MAPT 1268/4885
US-20190016722-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES TRPC5, TRPC4, TRPV1 P2RX3 19/4885ALDH1A1 1488/4885MAPT 1549/4885

“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