SCHEMBL1019315

SCHEMBL1019315

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.51
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRM1 P11229 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL1019938 0.89 ACKR3 (0.62) ACKR3ALDH1A1CHRM1
SCHEMBL1022698 0.83 LMNA (0.63) ACKR3MEN1KMT2ACHRM1
SCHEMBL1021348 0.83 KMT2A (0.48) ACKR3ALDH1A1MEN1TSHRKMT2A
SCHEMBL13068981 0.82 ACKR3 (0.55) ACKR3ALDH1A1POLB
SCHEMBL1548763 0.81 ACKR3 (0.54) ACKR3ALDH1A1MEN1TSHRKMT2A
SCHEMBL1019317 0.81 ACKR3 (0.52) ACKR3CHRM1POLB
SCHEMBL14535385 0.79 ACKR3 (0.62) ACKR3POLB
SCHEMBL1073552 0.79 KMT2A (0.57) ACKR3ALDH1A1MEN1TSHRKMT2A
SCHEMBL1549333 0.78 CHRM1 (0.72) CHRM1POLB
SCHEMBL14535539 0.78 CNR2 (0.58) ACKR3CHRM1

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 8 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-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
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
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 ACKR3 3624/4885ALDH1A1 1763/4885MEN1 1755/4885

“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.