SCHEMBL5014908

SCHEMBL5014908

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1cccc(Cl)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
P2RX7 Q99572 6/20 0.42
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
GCK P35557 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
SCHEMBL4988059 0.93 P2RX7 (0.41) KMT2AP2RX7EPHX2MEN1CA12
SCHEMBL4985374 0.92 P2RX7 (0.47) KMT2AP2RX7MEN1CA12CA9
SCHEMBL4991004 0.91 KMT2A (0.42) KMT2AP2RX7EPHX2MEN1CA12
SCHEMBL4988078 0.91 P2RX7 (0.43) KMT2AP2RX7EPHX2CA12CA9
SCHEMBL4982810 0.91 P2RX7 (0.47) KMT2AP2RX7MEN1CA12CA9
SCHEMBL4983064 0.90 MAPT (0.41) KMT2AP2RX7EPHX2MEN1CA12
SCHEMBL4987204 0.90 P2RX7 (0.42) KMT2AP2RX7EPHX2MEN1CA12
SCHEMBL5142668 0.89 MKNK1 (0.37) KMT2AEPHX2MEN1MKNK1PPARG
SCHEMBL4983105 0.89 P2RX7 (0.46) KMT2AP2RX7EPHX2MEN1MKNK1
SCHEMBL4982862 0.89 L3MBTL1 (0.43) KMT2AEPHX2MEN1TSHR

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 7 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
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 KMT2A 3134/4885P2RX7 1619/4885EPHX2 437/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885P2RX7 1/4885EPHX2 569/4885

“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.