SCHEMBL12498992

SCHEMBL12498992

CNc1nc(C)cc(N)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.48
NOS2 P35228 3/20 0.48
NOS1 P29475 2/20 0.48
TERT O14746 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CG P48736 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
SCHEMBL3742429 0.85 TDP1 (0.41) NOS3NOS2NOS1TERTPOLB
SCHEMBL3266109 0.83 MAPT (0.53) NOS3NOS2TERTPOLBMAPT
SCHEMBL11037706 0.77 HTR6 (0.47) NOS3NOS2MAPTALDH1A1TDP1
SCHEMBL12411157 0.77 HRH4 (0.51) NOS3NOS2NOS1GAAALDH1A1
SCHEMBL12658527 0.76 TDP1 (0.35) NOS3NOS2NOS1TERTPOLB
SCHEMBL15360174 0.76 ADORA1 (0.36) NOS3NOS2NOS1TERTMAPT
SCHEMBL12106760 0.76 MAPT (0.45) NOS3NOS2NOS1POLBMAPT
SCHEMBL12499637 0.74 NOS3 (0.58) NOS3NOS2TERTPOLBMAPT
SCHEMBL11403178 0.74 MAPT (0.47) NOS3NOS2NOS1MAPTGAA
SCHEMBL23999695 0.73 NOS3 (0.54) NOS3NOS2NOS1TERTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023939-A1 POLYMERS, COMPOSITIONS AND METHODS FOR TREATING HYPERURICEMIA WATERSTONE PHARMACEUTICALS (WUHAN) CO., LTD. (CN) 2023-03-02 WO disclosed
EP-3555070-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme Inc (US) 2019-10-23 EP disclosed
WO-2018118842-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2018-06-28 WO disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 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 (2 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NOS3 3545/4885NOS2 3122/4885NOS1 3880/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NOS3 3545/4885NOS2 3122/4885NOS1 3880/4885

“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.