SCHEMBL12411171

SCHEMBL12411171

CNc1cc(NC)nc(NC(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ NUDT1 P36639 3/20 0.46
▸ KMT2A Q03164 4/20 0.42
▸ KCNH3 Q9ULD8 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ F2 P00734 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL12411159 0.88 NOS3 (0.48) GAATDP1NUDT1KMT2AKCNH3
SCHEMBL11445700 0.78 MAPT (0.50) TDP1NUDT1ALDH1A1KDM4EESR1
SCHEMBL20117984 0.75 GAA (0.61) GAATDP1KMT2AKCNH3ALDH1A1
SCHEMBL29368367 0.75 GAA (0.61) GAATDP1KMT2AKCNH3ALDH1A1
SCHEMBL12411106 0.75 ABL1 (0.50) KCNH3ALDH1A1CYP1A2CYP2C19
SCHEMBL8041736 0.74 GAA (0.74) GAATDP1KMT2AKCNH3ALDH1A1
SCHEMBL16608839 0.74 LMNA (0.46) GAATDP1KMT2AKCNH3ALDH1A1
SCHEMBL9493382 0.72 GAA (0.52) GAATDP1KMT2AKCNH3ALDH1A1
SCHEMBL17995537 0.72 GAA (0.42) GAATDP1KMT2AKCNH3ALDH1A1
SCHEMBL22276136 0.71 NOS3 (0.43) NUDT1ALDH1A1KDM4EESR1CYP2C19

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-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
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 GAA 218/4885TDP1 1244/4885NUDT1 86/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD GAA 218/4885TDP1 1244/4885NUDT1 86/4885

“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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