SCHEMBL1024165

SCHEMBL1024165

COC(=O)C(=CNc1cccnc1)C(=O)c1ccc(C)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
CSF1R P07333 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.44
BRAF P15056 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
NAMPT P43490 1/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL1024164 1.00 MAPK1 (0.50) MAPK1CSF1RNPC1RAB9ABRAF
SCHEMBL13762878 0.86 CES2 (0.39) MAPK1NPC1RAB9AMAPTALDH1A1
SCHEMBL1022147 0.86 CES2 (0.51) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL1023788 0.86 CES2 (0.51) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL1024171 0.81 MAPT (0.43) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL1024170 0.81 MAPT (0.43) MAPK1NPC1RAB9AMAPTLMNA
SCHEMBL1022079 0.79 MAPT (0.42) MAPK1NPC1RAB9AMAPTALDH1A1
SCHEMBL1022675 0.79 MAPT (0.42) MAPK1NPC1RAB9AMAPTALDH1A1
SCHEMBL9875898 0.76 MAPT (0.58) MAPK1RAB9AMAPTLMNAALDH1A1
SCHEMBL1023914 0.76 MEN1 (0.56) NPC1RAB9AMAPTALDH1A1KMT2A

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-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
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
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 MAPK1 4810/4885CSF1R 4627/4885NPC1 937/4885

“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.