SCHEMBL21138522

SCHEMBL21138522

O=C(NNc1nccnc1Cl)C1CC(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 4/20 0.36
HPGD P15428 1/20 0.35
POLB P06746 2/20 0.34
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 3/20 0.33
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3B P49841 3/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
P2RX7 Q99572 1/20 0.32
SCD O00767 1/20 0.32
GRM4 Q14833 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL21138795 0.89 ALDH1A1 (0.33) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21138793 0.89 CYP2D6 (0.33) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21138242 0.87 GAA (0.40) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21138514 0.87 GAA (0.32) GAAALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL21138866 0.86 GAA (0.40) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21057527 0.86 GAA (0.38) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21138913 0.83 GAA (0.36) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21057450 0.83 GAA (0.36) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21057448 0.83 GAA (0.36) GAAALDH1A1RAB9AHPGDPOLB
SCHEMBL21138871 0.82 GAA (0.54) GAAALDH1A1RAB9AHPGDPOLB

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 GAA 1662/4885ALDH1A1 1644/4885RAB9A 1086/4885

“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.