Pyrazole

Pyrazole

SCHEMBL3228113

NC(=O)c1ccncc1.c1cn[nH]c1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.44
▸ F7 P08709 1/20 0.43
▸ F3 P13726 1/20 0.43
▸ SARM1 Q6SZW1 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ SIRT4 Q9Y6E7 1/20 0.43
▸ CDC7 O00311 1/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 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
Benzamide SCHEMBL29283553 0.87 POLB (0.59) F7F3SARM1SIRT2SIRT6
Benzamide SCHEMBL5106831 0.87 POLB (0.59) F7F3SARM1SIRT2SIRT6
Benzamide SCHEMBL29078248 0.86 POLB (0.57) F7F3SARM1SIRT2SIRT6
Isonicotinic Acid SCHEMBL28218616 0.84 NAPRT (0.63) CYP3A4CYP2C19HSD17B10TSHRL3MBTL1
Niacinamide SCHEMBL28151345 0.81 F7 (0.71) F7F3SARM1SIRT2SIRT6
Isoniazid SCHEMBL28826289 0.81 KDM4E (0.68) CYP3A4CYP2C19MAPTBLMPMP22
SCHEMBL44995 0.80 — —
SCHEMBL8582840 0.80 NAPRT (0.59) CYP17A1F7F3SARM1SIRT2
Pyrrole SCHEMBL28160832 0.79 CYP17A1 (0.51) CYP17A1F7F3SARM1SIRT2
Hydrochloric Acid SCHEMBL1666770 0.78 CYP17A1 (0.57) CYP17A1F7F3SARM1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 — — US claimed
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 — — EP claimed
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 — — US disclosed
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 — — EP 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 (1 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-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A CYP17A1 1361/4885F7 3142/4885F3 3123/4885

“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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