Sugi Predict

Sugi Predict / Compounds / SCHEMBL4988064

SCHEMBL4988064

SCHEMBL4988064

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)Cc1ccccc1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ P2RX7 Q99572 5/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ USP2 O75604 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
SCHEMBL4987092 0.91 TSHR (0.42) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL4988732 0.91 P2RX7 (0.47) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL4990836 0.91 ALDH1A1 (0.46) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL4988863 0.89 ALDH1A1 (0.44) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL4992054 0.89 P2RX7 (0.46) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL14272276 0.88 TSHR (0.55) ALDH1A1MEN1KMT2ATSHR
SCHEMBL4982533 0.88 ALDH1A1 (0.44) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL4986998 0.88 P2RX7 (0.45) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL4980966 0.88 ALDH1A1 (0.46) ALDH1A1ALOX12P2RX7MEN1KMT2A
SCHEMBL4986247 0.87 P2RX7 (0.47) ALDH1A1ALOX12P2RX7MEN1KMT2A

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 ALDH1A1 1289/4885ALOX12 126/4885P2RX7 1619/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3640/4885ALOX12 339/4885P2RX7 1/4885

“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.