SCHEMBL10063594

SCHEMBL10063594

Cn1nc(-c2ncc[nH]2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.41
▸ NAMPT P43490 3/20 0.40
▸ IDH1 O75874 7/20 0.39
▸ NISCH Q9Y2I1 2/20 0.39
▸ MTOR P42345 1/20 0.39
▸ ADK P55263 1/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ SSTR4 P31391 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FEN1 P39748 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ PDE4B Q07343 1/20 0.34

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
SCHEMBL27249786 0.80 HTR2A (0.46) NAMPTNISCHMTORADKKDM4C
SCHEMBL10063585 0.76 CCR1 (0.54) CCR1ALDH1A1
SCHEMBL2363211 0.76 CCR1 (0.44) CCR1NAMPTNISCHMTORADK
SCHEMBL1639566 0.74 CCR1 (0.53) CCR1NISCHMTORADKALDH1A1
SCHEMBL1638721 0.71 CCR1 (0.52) CCR1SSTR4ALDH1A1KMT2A
SCHEMBL9876833 0.71 NAMPT (0.54) NAMPTIDH1KDM5AKDM4CKDM5B
SCHEMBL10457622 0.71 GRM5 (0.43) NAMPTIDH1KDM5AKDM4CKDM5B
SCHEMBL10063595 0.71 NISCH (0.43) NAMPTIDH1NISCHSSTR4
SCHEMBL18056924 0.70 NAMPT (0.40) NAMPTIDH1KDM5AKDM4CKDM5B
SCHEMBL1747623 0.70 GSK3B (0.54) NAMPTMTORKDM5AKDM4CKDM5B

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 1/4885NAMPT 1630/4885IDH1 3664/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885NAMPT 1630/4885IDH1 3664/4885
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS SOST, VDR, PTH1R CCR1 1499/4885NAMPT 116/4885IDH1 3071/4885
US-20120010214-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885NAMPT 1630/4885IDH1 3664/4885
US-20100173911-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 CCR1 1/4885NAMPT 1630/4885IDH1 3664/4885

“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.

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