SCHEMBL3465108

SCHEMBL3465108

O=C(O)c1cncc2c1cnn2-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR4A3 Q92570 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
MAPK1 P28482 1/20 0.49
RIPK2 O43353 1/20 0.45
CCR1 P32246 6/20 0.43
MAPK14 Q16539 1/20 0.43
TP53 P04637 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41
PLA2G10 O15496 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
SCHEMBL567998 0.87 CCR1 (0.55) CCR1MAPK14
SCHEMBL568160 0.87 NR3C1 (0.43) SMN1; SMN2CCR1
SCHEMBL3466361 0.83 CCR1 (0.43) L3MBTL1NR4A3CCR1
SCHEMBL15158549 0.76 ALDH1A1 (0.47) POLBMAPTSMN1; SMN2MAPK1CYP17A1
SCHEMBL20413782 0.76 ALDH1A1 (0.47) POLBMAPTSMN1; SMN2MAPK1TP53
SCHEMBL3439328 0.73 KDM4E (0.37) MAPK1
SCHEMBL6390136 0.72 ALDH1A1 (0.48) POLBMAPTSMN1; SMN2MAPK14TP53
SCHEMBL17982137 0.72 MAPT (0.44) POLBMAPTL3MBTL1NR4A3SMN1; SMN2
SCHEMBL12800131 0.72 CCR1 (0.50) CCR1CYP17A1CYP1A2
SCHEMBL1135201 0.72 CCR1 (0.61) CCR1MAPK14CYP17A1CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8871786-B2 Azaindazole amide compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-28 US disclosed
US-20130203803-A1 Azaindazole Amide Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (3 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 POLB 2974/4885MAPT 4650/4885L3MBTL1 4281/4885
US-20130203803-A1 Azaindazole Amide Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 POLB 3178/4885MAPT 4441/4885L3MBTL1 4123/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 POLB 1195/4885MAPT 4278/4885L3MBTL1 4336/4885

“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.