SCHEMBL10063598

SCHEMBL10063598

O=C(Cn1nc(-c2ncc[nH]2)c2cccnc21)N1CCN(c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.71
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
CXCR3 P49682 1/20 0.41
ELANE P08246 1/20 0.41
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
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
SCHEMBL12624490 0.85 CCR1 (0.71) CCR1ALDH1A1KMT2AMEN1TP53
SCHEMBL1638600 0.85 CCR1 (0.81) CCR1
Ccx354 SCHEMBL1638749 0.83 CCR1 (1.00) CCR1
SCHEMBL10080244 0.83 CCR1 (0.83) CCR1
Ccx354 SCHEMBL30538013 0.83 CCR1 (1.00) CCR1
SCHEMBL1638644 0.83 CCR1 (0.75) CCR1SMN1; SMN2LMNA
Ccx354 SCHEMBL29364104 0.83 CCR1 (1.00) CCR1
Ccx354 SCHEMBL30865101 0.83 CCR1 (1.00) CCR1
SCHEMBL12624493 0.83 CCR1 (0.74) CCR1ALDH1A1MAPTUSP2
SCHEMBL1638044 0.83 CCR1 (0.87) CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184289-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CHEMOCENTRYX INC. (US) 2013-07-18 US disclosed
US-8481545-B2 3-(imidazolyl)-pyrazolo[3,4-b] pyridines CHEMOCENTRYX, INC. (US) 2013-07-09 US disclosed
US-20120010214-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2012-01-12 US disclosed
US-7960388-B2 3-(imidazolyl)-pyrazolo[3,4-b]pyridines CHEMOCENTRYX, INC. (US) 2011-06-14 US disclosed
US-20100173911-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2010-07-08 US disclosed
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS CHEMOCENTRYX, INC. (US) 2010-05-06 US disclosed
US-7629344-B2 3-(imidazolyl)-pyrazolo[3,4-b]pyridines CHEMOCENTRYX, INC. (US) 2009-12-08 US disclosed
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CHEMOCENTRYX, INC. (US) 2008-12-04 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-20130184289-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-B]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885HSD17B10 3683/4885ALDH1A1 1633/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885HSD17B10 3683/4885ALDH1A1 1633/4885
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS SOST, VDR, PTH1R CCR1 1499/4885HSD17B10 3571/4885ALDH1A1 3942/4885
US-20120010214-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885HSD17B10 3683/4885ALDH1A1 1633/4885
US-20100173911-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885HSD17B10 3683/4885ALDH1A1 1633/4885

“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.