SCHEMBL4157438

SCHEMBL4157438

CC12CC3CC(C)(C1)CC(CC(=O)Nc1cccc4c(=O)n(Cc5cccnc5)ccc14)(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.49
POLB P06746 1/20 0.49
DHPS P49366 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SHMT2 P34897 1/20 0.42
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4147936 0.91 P2RX7 (0.51) P2RX7POLBDHPSLMNAKDM4E
SCHEMBL4132630 0.90 P2RX7 (0.53) P2RX7POLBLMNAKDM4EMEN1
SCHEMBL4137913 0.88 P2RX7 (0.60) P2RX7DHPSMEN1USP2KMT2A
SCHEMBL13587404 0.87 P2RX7 (0.49) P2RX7POLBSHMT2MEN1USP2
SCHEMBL4135903 0.86 P2RX7 (0.51) P2RX7LMNAKDM4EMEN1KMT2A
SCHEMBL4147036 0.84 P2RX7 (0.49) P2RX7POLBKDM4ESHMT2KMT2A
SCHEMBL13774233 0.84 P2RX7 (0.43) P2RX7POLBDHPSLMNAKDM4E
SCHEMBL4157822 0.84 P2RX7 (0.49) P2RX7POLBKDM4E
SCHEMBL4145612 0.84 P2RX7 (0.49) P2RX7POLBKMT2A
SCHEMBL4140515 0.84 P2RX7 (0.49) P2RX7POLBLMNAKDM4EMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US claimed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US claimed
EP-1865774-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-19 EP claimed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US claimed
WO-2006102588-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885DHPS 3023/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885DHPS 3023/4885

“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.