SCHEMBL4989402

SCHEMBL4989402

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(Oc3cccnc3)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
ADAM17 P78536 1/20 0.40
NAMPT P43490 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
EGFR P00533 1/20 0.38
ERBB4 Q15303 1/20 0.38
EPHX2 P34913 3/20 0.37
TSHR P16473 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35

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
SCHEMBL4982677 0.93 KMT2A (0.39) KMT2AMEN1USP2MMP1MMP2
SCHEMBL4988742 0.92 P2RX7 (0.41) CA12CA9EPHX2TSHR
SCHEMBL14272396 0.90 TSHR (0.47) KMT2AMEN1MMP1MMP2ADAM17
SCHEMBL4982950 0.89 P2RX7 (0.44) TSHRMKNK1
SCHEMBL4991118 0.89 KMT2A (0.50) KMT2AMEN1USP2NAMPTCA12
SCHEMBL4988136 0.88 CA12 (0.38) KMT2AMEN1USP2MMP1MMP2
SCHEMBL13532341 0.88 MMP1 (0.38) KMT2AMMP1MMP2ADAM17NAMPT
SCHEMBL4988420 0.87 ALDH1A1 (0.38) KMT2AMMP2NAMPTCA12CA9
SCHEMBL4991082 0.87 P2RX7 (0.46) TSHRCHRNB4CHRNA3MKNK1
SCHEMBL4985364 0.87 P2RX7 (0.43) KMT2AMEN1CA12CA9EPHX2

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
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 3134/4885MEN1 4084/4885USP2 3016/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 KMT2A 4614/4885MEN1 4853/4885USP2 4733/4885

“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.