SCHEMBL1074243

SCHEMBL1074243

O=C(c1cnccn1)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
GPR84 Q9NQS5 1/20 0.49
CFTR P13569 6/20 0.48
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
AHR P35869 2/20 0.44
PBRM1 Q86U86 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL21448960 0.91 GPR84 (0.61) SMN1; SMN2GPR84AHRPBRM1ALDH1A1
Pyrazinoic Acid SCHEMBL28138697 0.81 SMN1; SMN2 (0.58) SMN1; SMN2GPR84PBRM1ALDH1A1ATM
SCHEMBL1074640 0.80 KIF20A (0.52) SMN1; SMN2GPR84CFTRGABRA1GABRB2
SCHEMBL396316 0.79 CFTR (0.61) SMN1; SMN2CFTRGABRA1GABRB2ALDH1A1
SCHEMBL1074926 0.78 GABRA1 (0.48) GPR84CFTRGABRA1GABRB2PBRM1
SCHEMBL12707187 0.78 GPR84 (0.54) SMN1; SMN2GPR84CFTRGABRA1GABRB2
Pyrazine SCHEMBL10716045 0.77 CFTR (0.58) SMN1; SMN2GPR84CFTRGABRA1GABRB2
SCHEMBL31711506 0.75 GPR84 (0.67) SMN1; SMN2GPR84AHRPBRM1ALDH1A1
SCHEMBL10521630 0.75 GPR84 (0.67) SMN1; SMN2GPR84AHRPBRM1ALDH1A1
SCHEMBL12707173 0.74 CFTR (0.61) SMN1; SMN2GPR84CFTRGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
EP-1954274-B8 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2011-01-12 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
EP-1954274-B1 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2010-11-03 EP disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
US-7557213-B2 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2009-07-07 US disclosed
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B SMN1; SMN2 2712/4885GPR84 4203/4885CFTR 703/4885

“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.