SCHEMBL21137449

SCHEMBL21137449

CC1CC(C)CN(c2nnc3c(Cl)nccn23)C1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
MAPT P10636 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL21138382 0.85 RXFP1 (0.38) PTPN11NPC1ALDH1A1HPGDRAB9A
SCHEMBL21138577 0.85 PTPN11 (0.43) PTPN11
SCHEMBL21138576 0.84 PTPN11 (0.37) PTPN11KMT2ANPC1ALDH1A1HPGD
SCHEMBL21057496 0.82 ADORA3 (0.41) PTPN11KMT2A
SCHEMBL21138751 0.82 ADORA3 (0.41) PTPN11KMT2A
SCHEMBL21057493 0.82 ADORA3 (0.41) PTPN11KMT2A
SCHEMBL19917076 0.82 ADORA3 (0.41) PTPN11KMT2A
SCHEMBL21137441 0.81 PTPN11 (0.35) PTPN11
SCHEMBL21138292 0.77 ADORA3 (0.37) PTPN11KMT2ANPC1ALDH1A1RAB9A
SCHEMBL21138580 0.77 ADORA3 (0.37) PTPN11KMT2ANPC1ALDH1A1RAB9A

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 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 (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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A PTPN11 497/4885KMT2A 1923/4885NPC1 2611/4885

“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.