SCHEMBL1639550

SCHEMBL1639550

COc1cc(N2CCN(C(=O)CCl)C(C)C2)c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SUV39H2 Q9H5I1 2/20 0.44
PPOX P50336 2/20 0.43
ROCK2 O75116 3/20 0.42
PRKG1 Q13976 3/20 0.42
CHRM4 P08173 2/20 0.41
TACR3 P29371 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PANK3 Q9H999 1/20 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
SCHEMBL1639548 1.00 CCR1 (0.47) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL12765552 0.91 CCR1 (0.47) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL14724209 0.89 CCR1 (0.45) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL13229276 0.88 MAPT (0.44) CCR1MAPTALDH1A1LMNAROCK2
SCHEMBL12726174 0.85 MAPT (0.47) MAPTALDH1A1LMNAROCK2PRKG1
SCHEMBL4811812 0.83 CXCR3 (0.50) CCR1MAPTALDH1A1LMNASUV39H2
SCHEMBL3071170 0.82 MEN1 (0.47) CCR1MAPTALDH1A1LMNAPPOX
SCHEMBL3464357 0.81 CCR1 (0.59) CCR1
SCHEMBL3464356 0.81 CCR1 (0.59) CCR1
SCHEMBL13869125 0.81 CCR1 (0.49) CCR1SUV39H2ROCK2PRKG1TACR3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155203-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-10-17 EP disclosed
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2018-09-06 US disclosed
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 US disclosed
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 US disclosed
EP-1906965-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2015-05-06 EP disclosed
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2013-12-19 US disclosed
US-8383630-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2013-02-26 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2011-04-28 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7524845-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2009-04-28 US disclosed
EP-1931348-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-06-18 EP disclosed
EP-1906965-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-04-09 EP disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
WO-2007002293-A2 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-01-04 WO disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 US 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 (10 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-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885ALDH1A1 864/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885ALDH1A1 864/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885ALDH1A1 864/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885ALDH1A1 864/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885ALDH1A1 951/4885
US-20110098308-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885ALDH1A1 864/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885ALDH1A1 951/4885
US-20130338157-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 CCR1 1/4885MAPT 4546/4885ALDH1A1 864/4885
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 CCR1 1/4885MAPT 3597/4885ALDH1A1 1533/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 CCR1 1/4885MAPT 4063/4885ALDH1A1 951/4885

“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.