SCHEMBL3742545

SCHEMBL3742545

Nc1cccc2c(=O)n(Cc3ccc(C(F)(F)F)nc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
DHPS P49366 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
EGLN1 Q9GZT9 5/20 0.38
NSD2 O96028 2/20 0.37
GRM2 Q14416 1/20 0.37
ENPP2 Q13822 1/20 0.36
DAO P14920 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
SCHEMBL3743685 0.84 GAA (0.46) DHPSHSD17B13GRIN1GRIN2BKDM4E
SCHEMBL1897110 0.78 PARP1 (0.56) PARP1DHPSKDM4EALDH1A1SMN1; SMN2
SCHEMBL4147543 0.75 PARP1 (0.62) PARP1DHPSKDM4EALDH1A1EGLN1
SCHEMBL8229980 0.74 P2RX7 (0.59) HSD17B13TRPV1EGLN1ENPP2MAPT
SCHEMBL13078877 0.74 P2RX7 (0.51) HSD17B13TRPV1MAPT
SCHEMBL3743606 0.73 P2RX7 (0.72) HSD17B13KDM4ETRPV1MAPT
SCHEMBL9394351 0.72 PARP1 (0.61) PARP1KDM4EALDH1A1SMN1; SMN2GRM2
SCHEMBL3742531 0.69 KDM4E (0.55) PARP1DHPSKDM4EALDH1A1SMN1; SMN2
SCHEMBL16275113 0.68 CYP11B1 (0.45) GRIN1GRIN2BKDM4EALDH1A1SMN1; SMN2
SCHEMBL12931104 0.68 APP (0.40) HSD17B13GRIN1GRIN2BGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
EP-2001474-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
EP-2001474-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-12-17 EP disclosed
WO-2007109172-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109172-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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 (1 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 PARP1 1754/4885DHPS 3023/4885HSD17B13 3267/4885

“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.