SCHEMBL1019317

SCHEMBL1019317

CON(C)C(=O)c1cn(Cc2cccc(C)n2)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
CHRM1 P11229 1/20 0.45
LMNA P02545 1/20 0.44
CNR2 P34972 3/20 0.43
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL12707429 0.89 ACKR3 (0.48) ACKR3CHRM1LMNACNR2TP53
SCHEMBL1019939 0.89 ACKR3 (0.63) ACKR3CHRM1LMNACNR2TP53
SCHEMBL12707401 0.89 ACKR3 (0.48) ACKR3CHRM1LMNACNR2TP53
SCHEMBL13069028 0.88 ACKR3 (0.48) ACKR3CHRM1LMNACNR2TP53
SCHEMBL1022698 0.84 LMNA (0.63) ACKR3CHRM1LMNACNR2TP53
SCHEMBL1074874 0.82 MAPT (0.44) ACKR3LMNATP53POLBSMN1; SMN2
SCHEMBL1548763 0.82 ACKR3 (0.54) ACKR3CHRM1LMNACNR2TP53
SCHEMBL1019315 0.81 ACKR3 (0.51) ACKR3CHRM1POLB
SCHEMBL13068981 0.81 ACKR3 (0.55) ACKR3CNR2TP53POLBSMN1; SMN2
SCHEMBL1073531 0.81 ACKR3 (0.60) ACKR3LMNACNR2TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-9403802-B2 Heterocyclic compound and use therefor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-02 US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 US disclosed
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-07 US disclosed
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 (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-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B ACKR3 3624/4885CHRM1 4003/4885LMNA 713/4885
US-20150126487-A1 HETEROCYCLIC COMPOUND AND USE THEREFOR CHRM1, CHRM4, CHRM2 ACKR3 910/4885CHRM1 1/4885LMNA 4571/4885

“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.