SCHEMBL3399997

SCHEMBL3399997

COc1ccc(C(=O)c2cn(Cc3cccc(C(F)(F)F)n3)c3ncccc3c2=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.47
MAPT P10636 6/20 0.41
POLB P06746 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 4/20 0.39
GAA P10253 1/20 0.38
ADORA2A P29274 1/20 0.38
RXFP1 Q9HBX9 2/20 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
SCHEMBL13762949 0.89 ACKR3 (0.50) ACKR3MAPTPOLBSMN1; SMN2TP53
SCHEMBL1549596 0.88 ACKR3 (0.62) ACKR3MAPTPOLBSMN1; SMN2TP53
SCHEMBL1075827 0.88 ACKR3 (0.62) ACKR3MAPTPOLBSMN1; SMN2TP53
SCHEMBL1074684 0.85 ACKR3 (0.47) ACKR3MAPTPOLBSMN1; SMN2TP53
SCHEMBL1083426 0.85 MAPT (0.47) MAPTPOLBSMN1; SMN2TP53GAA
SCHEMBL13762953 0.83 THRB (0.46) ACKR3MAPTPOLBTP53GAA
SCHEMBL1074788 0.81 ACKR3 (0.56) ACKR3MAPTPOLBTP53GAA
SCHEMBL13069583 0.81 ACKR3 (0.44) ACKR3MAPTPOLBTP53GAA
SCHEMBL12706981 0.80 TP53 (0.47) ACKR3MAPTPOLBSMN1; SMN2TP53
SCHEMBL13762956 0.80 ACKR3 (0.54) ACKR3MAPTPOLBTP53GAA

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 10 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-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
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

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 3624/4885MAPT 3753/4885POLB 108/4885

“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.