Sugi Predict

Sugi Predict / Compounds / SCHEMBL4989394

SCHEMBL4989394

SCHEMBL4989394

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1ccc(-c3ccccc3)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.44
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL4986247 0.95 P2RX7 (0.47) P2RX7ALDH1A1ALOX12PTGDR2ABCB11
SCHEMBL4993440 0.90 ABCB11 (0.45) P2RX7ALDH1A1ALOX12ABCB11TSHR
SCHEMBL4982846 0.90 GRM5 (0.41) P2RX7ALDH1A1ALOX12ABCB11TSHR
SCHEMBL4983774 0.90 P2RX7 (0.49) P2RX7ALDH1A1ALOX12ABCB11TSHR
SCHEMBL4988553 0.89 SMN1; SMN2 (0.43) P2RX7ALDH1A1ALOX12ABCB11TSHR
SCHEMBL4986710 0.88 ABCB11 (0.42) P2RX7ALDH1A1ALOX12PTGDR2ABCB11
SCHEMBL4983014 0.88 TSHR (0.42) P2RX7ALDH1A1ALOX12ABCB11TSHR
SCHEMBL4986178 0.87 GPR55 (0.40) P2RX7ALDH1A1ALOX12ABCB11TSHR
SCHEMBL4988881 0.87 P2RX7 (0.49) P2RX7ALDH1A1ABCB11TSHRGPR55
SCHEMBL4985176 0.87 GPR55 (0.42) P2RX7ALDH1A1ALOX12ABCB11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 — — US claimed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 — — EP claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 — — US claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 — — WO claimed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 — — US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 — — 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 P2RX7 1619/4885KCNK3 2960/4885KCNK9 1408/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KCNK3 403/4885KCNK9 773/4885

“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.