Sugi Predict

Sugi Predict / Compounds / SCHEMBL4983064

SCHEMBL4983064

SCHEMBL4983064

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(F)c(Cl)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ P2RX7 Q99572 3/20 0.41
▸ TP53 P04637 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NR4A1 P22736 1/20 0.38
▸ LPAR1 Q92633 1/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4988078 0.93 P2RX7 (0.43) P2RX7KMT2ACA12CA9LPAR1
SCHEMBL4987204 0.91 P2RX7 (0.42) MAPTP2RX7KMT2AMEN1CA12
SCHEMBL5014908 0.90 KMT2A (0.43) P2RX7KMT2AMEN1CA12CA9
SCHEMBL4985374 0.90 P2RX7 (0.47) MAPTP2RX7KMT2AMEN1CA12
SCHEMBL4988771 0.89 P2RX7 (0.42) P2RX7POLBNR4A1MKNK1EPHX2
SCHEMBL14272418 0.89 TSHR (0.49) MAPTTP53KMT2AMEN1L3MBTL1
SCHEMBL4988059 0.89 P2RX7 (0.41) P2RX7KMT2AMEN1CA12CA9
SCHEMBL4989548 0.89 CA12 (0.42) P2RX7KMT2AMEN1CA12CA9
SCHEMBL4986266 0.88 MKNK1 (0.45) P2RX7MKNK1EPHX2ALDH1A1
SCHEMBL4991004 0.88 KMT2A (0.42) MAPTP2RX7KMT2AMEN1CA12

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 5 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 — — US 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
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 MAPT 1927/4885P2RX7 1619/4885TP53 4516/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MAPT 4477/4885P2RX7 1/4885TP53 4589/4885

“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.