SCHEMBL24316737

SCHEMBL24316737

N#Cc1nn(CN2CCSCC2)c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.44
▸ NOS1 P29475 3/20 0.44
▸ NOS2 P35228 3/20 0.44
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ CYP2A6 P11509 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ RAD52 P43351 1/20 0.31
▸ NLRP1 Q9C000 1/20 0.31
▸ CYP2A13 Q16696 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31

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
SCHEMBL26717311 0.76 NOS3 (0.42) NOS3NOS1NOS2MAPTTP53
SCHEMBL16440327 0.76 MAPK8 (0.42) NOS3NOS1NOS2MAPTMAPK1
SCHEMBL17876771 0.73 TSHR (0.43) MAPTHTTKDM4ETSHR
SCHEMBL19208377 0.72 MAPK8 (0.48) MAPTTSHR
SCHEMBL16433339 0.68 RAB9A (0.42) MAPTKDM4ECYP2A6KDM4CRAB9A
SCHEMBL19208697 0.66 MAPT (0.48) MAPTKDM4E
SCHEMBL18982536 0.65 CTSK (0.41) KDM4C
SCHEMBL19236792 0.65 MAPT (0.47) MAPTTP53MAPK1L3MBTL1KDM4E
SCHEMBL23110370 0.62 HTT (0.50) MAPTHTTATML3MBTL1KDM4E
SCHEMBL20161329 0.60 ENPP2 (0.39) HTTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357099-A1 PYRAZOLO [3,4-B] PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR EUROCHEM ANTWERPEN (BE) 2023-11-09 — — US disclosed
US-20230357099-A1 PYRAZOLO [3,4-B] PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR EUROCHEM ANTWERPEN (BE) 2023-11-09 — — US disclosed
WO-2022053661-A2 PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR EUROCHEM ANTWERPEN (BE) 2022-03-17 — — WO 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-20230357099-A1 PYRAZOLO [3,4-B] PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR CBR1, CYC1, CBR3 NOS3 8/4885NOS1 6/4885NOS2 7/4885

“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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