SCHEMBL19917080

SCHEMBL19917080

Nc1c(Cl)ncnc1Nc1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MAPT P10636 6/20 0.45
GAA P10253 3/20 0.45
KDM4C Q9H3R0 1/20 0.43
KDM4E B2RXH2 4/20 0.42
HTT P42858 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 4/20 0.40
GALR3 O60755 1/20 0.40
EGFR P00533 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CDK1 P06493 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL16774914 0.83 PTK2 (0.54) MAPTKDM4CKDM4EHTTKMT2A
SCHEMBL6241529 0.77 EGFR (0.52) KDM4CLMNAEGFR
SCHEMBL17815581 0.75 EGFR (0.49) MAPTKMT2ALMNASMN1; SMN2RAB9A
SCHEMBL1898192 0.75 EGFR (0.53) ADORA3ADORA2AMAPTGAAKDM4C
SCHEMBL6237575 0.74 EGFR (0.64) MAPTSMN1; SMN2EGFRPOLBMAPK1
SCHEMBL3061494 0.73 EGFR (0.62) MAPTGAAKDM4EHTTKMT2A
SCHEMBL11013921 0.73 KDM4C (0.54) MAPTKDM4CKMT2AL3MBTL1RAB9A
SCHEMBL839219 0.72 TTBK1 (0.57) MAPTKDM4CKDM4EHTTKMT2A
SCHEMBL3055764 0.72 KDR (0.52) KMT2AEGFRWDR5
SCHEMBL1896427 0.71 TTBK1 (0.55) ADORA3ADORA2AADORA1MAPTKDM4E

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 5 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
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
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
WO-2018038265-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2018-03-01 WO 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 ADORA3 1484/4885ADORA2A 1642/4885ADORA1 1281/4885

“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.