SCHEMBL2514323

SCHEMBL2514323

Cn1cncc1C(=O)Nc1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
PREP P48147 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 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
SCHEMBL10824813 0.83 RAB9A (0.54) NAMPTALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL31022619 0.79 NAMPT (0.66) NAMPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL2515326 0.78 NAMPT (0.42) NAMPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL2517050 0.77 KMT2A (0.48) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2514318 0.77 SMN1; SMN2 (0.63) NAMPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL31650535 0.76 ALDH1A1 (0.51) NAMPTALDH1A1SMN1; SMN2PRMT5WDR77
SCHEMBL2520214 0.74 ALDH1A1 (0.55) NAMPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2516231 0.73 NAMPT (0.64) NAMPTSMN1; SMN2RAB9AMAPTROCK2
SCHEMBL31650777 0.73 NAMPT (0.54) NAMPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL20854623 0.72 SNCA (0.46) NAMPTALDH1A1SMN1; SMN2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273741-B2 Imidazo-pyridazinyl compounds and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-8044049-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-25 US disclosed
US-8034812-B2 Imidazopyridazine derivative having kinase inhibitory activity and pharmaceutical agent thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-11 US disclosed
US-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-01 US disclosed
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-10 US disclosed
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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 (4 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-20100273788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 354/4885ALDH1A1 182/4885SMN1; SMN2 4445/4885
US-20090137595-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 354/4885ALDH1A1 182/4885SMN1; SMN2 4445/4885
US-20090306374-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 354/4885ALDH1A1 182/4885SMN1; SMN2 4445/4885
US-20100168424-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF KDR, FLT1, FLT4 NAMPT 516/4885ALDH1A1 208/4885SMN1; SMN2 4469/4885

“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.