SCHEMBL3939778

SCHEMBL3939778

Cc1c(C#N)c2nc[nH]c(=O)c2n1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PNP P00491 2/20 0.44
HTT P42858 2/20 0.44
AR P10275 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
PDE9A O76083 1/20 0.41
PDE1C Q14123 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4224597 0.88 DPP4 (0.44) DPP4KMT2AMEN1PNPHTT
SCHEMBL7119506 0.80 ALDH1A1 (0.58) KMT2AHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL13843413 0.78 HTT (0.44) DPP4KMT2APNPHTTALDH1A1
Hydrochloric Acid SCHEMBL3937144 0.78 HTT (0.45) DPP4KMT2APNPHTTALDH1A1
SCHEMBL7118856 0.77 HTT (0.43) DPP4KMT2AMEN1HTTTSHR
SCHEMBL6920666 0.77 HTT (0.46) DPP4PNPHTTADORA3ADORA2B
SCHEMBL6819044 0.76 HTT (0.54) KMT2APNPHTTALDH1A1ADORA3
SCHEMBL8239717 0.76 DPP4 (0.71) DPP4CYP3A4
Hydrochloric Acid SCHEMBL4231944 0.75 DPP4 (0.70) DPP4CYP3A4
Hydrochloric Acid SCHEMBL4231938 0.75 DPP4 (0.70) DPP4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-20050277773-A1 Pyrrolopyrimidine derivatives TEIJIN LIMITED (JP) 2005-12-15 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
EP-1477489-A1 PYRROLOPYRIMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2004-11-17 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 (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-20050277773-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP DPP4 541/4885KMT2A 3128/4885MEN1 1751/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885KMT2A 2541/4885MEN1 2523/4885

“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.