SCHEMBL10063595

SCHEMBL10063595

Cn1nc(C2=NCCN2)c2cccnc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 11/20 0.43
▸ ADRA2A P08913 1/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ IDH1 O75874 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL16432908 0.79 HTR2A (0.51) NISCHADRA2A
SCHEMBL10063594 0.71 CCR1 (0.41) NISCHNAMPTIDH1SSTR4
SCHEMBL16440326 0.70 NISCH (0.47) NISCHADRA2ANAMPTLMNA
SCHEMBL17876772 0.70 LMNA (0.45) NISCHADRA2ANAMPTLMNARECQL
SCHEMBL31298603 0.70 KDM5A (0.44) NAMPTSSTR4LMNA
SCHEMBL9876833 0.69 NAMPT (0.54) NAMPTIDH1
SCHEMBL10457622 0.69 GRM5 (0.43) NAMPTIDH1SSTR4
SCHEMBL18056924 0.68 NAMPT (0.40) NAMPTIDH1
SCHEMBL1747623 0.68 GSK3B (0.54) NAMPTSSTR4LMNA
SCHEMBL626956 0.68 L3MBTL1 (0.54) SSTR4

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 NISCH 2956/4885ADRA2A 785/4885NAMPT 1630/4885
US-20080300257-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 NISCH 2956/4885ADRA2A 785/4885NAMPT 1630/4885
US-20100113472-A1 COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS AND CANCERS SOST, VDR, PTH1R NISCH 512/4885ADRA2A 2565/4885NAMPT 116/4885
US-20120010214-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 NISCH 2956/4885ADRA2A 785/4885NAMPT 1630/4885
US-20100173911-A1 3-(IMIDAZOLYL)-PYRAZOLO[3,4-b]PYRIDINES CCR1, CCR3, CCR4 NISCH 2956/4885ADRA2A 785/4885NAMPT 1630/4885

“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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