SCHEMBL4989508

SCHEMBL4989508

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1cccc(OC(F)(F)F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.41
EPHX2 P34913 5/20 0.40
HSD11B1 P28845 1/20 0.39
MGLL Q99685 1/20 0.39
ABCB11 O95342 1/20 0.38
PDE2A O00408 2/20 0.37
GRM5 P41594 1/20 0.37
P2RX7 Q99572 1/20 0.37
ABL1 P00519 2/20 0.37
BCR P11274 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL4988270 0.91 EPHX2 (0.39) MAPK7EPHX2ABCB11P2RX7
SCHEMBL4984961 0.90 P2RX7 (0.49) EPHX2ABCB11GRM5P2RX7
SCHEMBL13532496 0.89 HSD11B1 (0.42) MAPK7EPHX2HSD11B1MGLLPDE2A
SCHEMBL14272322 0.89 TSHR (0.48) MAPK7EPHX2HSD11B1MGLLPDE2A
SCHEMBL4991412 0.88 P2RX7 (0.45) EPHX2ABCB11GRM5P2RX7ABL1
SCHEMBL4984781 0.87 GRM5 (0.44) ABCB11GRM5P2RX7
SCHEMBL4990352 0.86 P2RX7 (0.43) ABCB11GRM5P2RX7
SCHEMBL4985309 0.86 ABCB11 (0.44) EPHX2ABCB11GRM5P2RX7
SCHEMBL4986247 0.85 P2RX7 (0.47) ABCB11P2RX7
SCHEMBL4991218 0.85 GRM5 (0.43) EPHX2ABCB11GRM5P2RX7

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 MAPK7 946/4885EPHX2 437/4885HSD11B1 2574/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MAPK7 512/4885EPHX2 569/4885HSD11B1 3494/4885

“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.