SCHEMBL1639739

SCHEMBL1639739

c1ccc(-c2n[nH]c3ncccc23)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.67
PIM1 P11309 5/20 0.55
PIM2 Q9P1W9 2/20 0.54
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
METAP1 P53582 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
NTRK1 P04629 1/20 0.45
TGFBR1 P36897 1/20 0.44
MAPK14 Q16539 1/20 0.44
PIM3 Q86V86 1/20 0.43
PRKCI P41743 1/20 0.42

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
SCHEMBL30931548 0.81 ALDH1A1 (0.55) LRRK2PIM1PIM2KDM4EMAPK14
SCHEMBL1513056 0.81 ALDH1A1 (0.55) LRRK2PIM1PIM2KDM4EMAPK14
SCHEMBL1833053 0.80 LRRK2 (0.44) LRRK2PIM1PIM2TGFBR1MAPK14
SCHEMBL1328336 0.80 LRRK2 (1.00) LRRK2PIM1PIM2KDM4ELMNA
SCHEMBL30316298 0.80 LRRK2 (1.00) LRRK2PIM1PIM2KDM4ELMNA
SCHEMBL17922026 0.79 LRRK2 (0.41) LRRK2PIM1PIM2KDM4EPIM3
SCHEMBL25029065 0.79 TGFBR1 (0.44) LRRK2PIM1PIM2NTRK1TGFBR1
SCHEMBL9883364 0.79 LRRK2 (0.43) LRRK2PIM1PIM2TGFBR1MAPK14
SCHEMBL26716504 0.79 LRRK2 (0.43) LRRK2PIM1PIM2PIM3IDO1
SCHEMBL10452107 0.79 LRRK2 (0.62) LRRK2KDM4ECYP1A2NPC1RAB9A

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 42 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-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2016-10-13 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
US-9296740-B2 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2016-03-29 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
EP-1906965-B1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2015-05-06 EP disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
WO-2008147822-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2008-12-04 WO disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20080058341-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. 2008-03-06 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US disclosed
US-20070010524-A1 Azaindazole compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-01-11 US 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-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 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 (5 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 LRRK2 4834/4885PIM1 4564/4885PIM2 4660/4885
US-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 LRRK2 1213/4885PIM1 137/4885PIM2 150/4885
US-20180250293-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 LRRK2 4834/4885PIM1 4564/4885PIM2 4660/4885
US-20160296517-A1 AZAINDAZOLE COMPOUNDS AND METHODS OF USE CCR1, CCR3, CCR4 LRRK2 4834/4885PIM1 4564/4885PIM2 4660/4885
US-20070010524-A1 Azaindazole compounds and methods of use CCR1, CCR3, CCR4 LRRK2 4834/4885PIM1 4564/4885PIM2 4660/4885

“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.