SCHEMBL4986071

SCHEMBL4986071

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1cccnc1)C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX2 P34913 3/20 0.43
EPHX1 P07099 2/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.41
PDGFRB P09619 3/20 0.41
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
P2RX7 Q99572 5/20 0.39
KDR P35968 3/20 0.38
ABCB11 O95342 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 0.90 P2RX7 (0.47) MEN1USP2KMT2ATSHRALDH1A1
SCHEMBL4988553 0.90 SMN1; SMN2 (0.43) MEN1USP2KMT2AEPHX2EPHX1
SCHEMBL3187013 0.88 EPHX2 (0.45) MEN1USP2KMT2AEPHX2EPHX1
SCHEMBL5145709 0.87 HPGD (0.44) MEN1USP2KMT2AHPGDTSHR
SCHEMBL4990352 0.86 P2RX7 (0.43) TSHRALDH1A1ALOX12P2RX7ABCB11
SCHEMBL4987067 0.86 KMT2A (0.43) MEN1USP2KMT2ATSHRALDH1A1
SCHEMBL4984781 0.86 GRM5 (0.44) HPGDTSHRALDH1A1ALOX12P2RX7
SCHEMBL4985309 0.86 ABCB11 (0.44) MEN1KMT2AEPHX2TSHRALDH1A1
SCHEMBL4989394 0.85 P2RX7 (0.44) TSHRALDH1A1ALOX12P2RX7ABCB11
SCHEMBL4982846 0.85 GRM5 (0.41) EPHX2TSHRALDH1A1ALOX12P2RX7

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

“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.