SCHEMBL6701252

SCHEMBL6701252

COc1cc2ncnc(NCCN)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.66
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
STAT3 P40763 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ENPP1 P22413 3/20 0.65
EGFR P00533 5/20 0.64
BRD4 O60885 1/20 0.64
ERBB2 P04626 1/20 0.64
ERBB4 Q15303 1/20 0.64
KDM4E B2RXH2 4/20 0.61
HTT P42858 3/20 0.61
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 3/20 0.60
LCK P06239 1/20 0.60
FLT1 P17948 1/20 0.56
KDR P35968 1/20 0.56

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
SCHEMBL30080122 0.92 ENPP1 (0.70) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL23751419 0.92 ENPP1 (0.70) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL23762372 0.90 ENPP1 (0.72) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL23762274 0.89 ENPP1 (0.72) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL23762332 0.88 ENPP1 (0.73) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL8351408 0.87 MAPK1 (0.67) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL18292695 0.85 MAPK1 (0.66) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL8345731 0.83 EGFR (0.66) MAPK1KMT2AMEN1STAT3SMN1; SMN2
SCHEMBL11857812 0.83 ENPP1 (0.73) MAPK1KMT2AMEN1STAT3SMN1; SMN2
Hydrochloric Acid SCHEMBL5911719 0.82 ENPP1 (0.61) MAPK1KMT2AMEN1STAT3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 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 (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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 MAPK1 3092/4885KMT2A 4164/4885MEN1 3315/4885

“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.