SCHEMBL1590932

SCHEMBL1590932

CC(C(N)=O)n1ccc2c(NC(=O)Cc3ccc(F)cc3F)cccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.47
MAPK8 P45983 1/20 0.42
NTRK1 P04629 2/20 0.40
KCNH2 Q12809 1/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SHMT2 P34897 2/20 0.40
POLB P06746 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 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
SCHEMBL1590928 1.00 P2RX7 (0.47) P2RX7MAPK8NTRK1KCNH2TSHR
SCHEMBL1591836 0.91 P2RX7 (0.52) P2RX7TSHRALDH1A1SHMT2POLB
SCHEMBL1591419 0.91 P2RX7 (0.50) P2RX7NTRK1ALDH1A1HPGDPOLB
SCHEMBL1591832 0.91 P2RX7 (0.52) P2RX7TSHRALDH1A1SHMT2POLB
SCHEMBL1591423 0.91 P2RX7 (0.50) P2RX7NTRK1ALDH1A1HPGDPOLB
SCHEMBL1591821 0.91 P2RX7 (0.50) P2RX7NTRK1ALDH1A1HPGDPOLB
SCHEMBL1590434 0.90 P2RX7 (0.49) P2RX7ALDH1A1HPGDSHMT2KDM4E
SCHEMBL1590432 0.90 P2RX7 (0.49) P2RX7ALDH1A1HPGDSHMT2KDM4E
SCHEMBL1590796 0.89 P2RX7 (0.47) P2RX7MAPK8ALDH1A1HPGDSMN1; SMN2
SCHEMBL1590799 0.89 P2RX7 (0.47) P2RX7MAPK8ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed

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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MAPK8 588/4885NTRK1 2309/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MAPK8 588/4885NTRK1 2309/4885

“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.