SCHEMBL21138784

SCHEMBL21138784

CC(Nc1ncnc(Cl)c1N)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.56
NR2F2 P24468 1/20 0.56
EGFR P00533 11/20 0.51
LMNA P02545 2/20 0.51
TNF P01375 1/20 0.51
RAB9A P51151 1/20 0.51
NOD1 Q9Y239 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TP53 P04637 2/20 0.48
MAPT P10636 1/20 0.48
AURKA O14965 2/20 0.48
RPS6KB1 P23443 2/20 0.48
AURKB Q96GD4 1/20 0.48
KRAS P01116 1/20 0.48
SOS1 Q07889 1/20 0.48

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
SCHEMBL21138493 0.85 EGFR (0.53) GALR3NR2F2EGFR
SCHEMBL11101615 0.83 GALR3 (0.57) GALR3NR2F2EGFRLMNATNF
SCHEMBL11102880 0.82 GALR3 (0.56) GALR3NR2F2EGFRLMNATNF
SCHEMBL11105460 0.79 GALR3 (0.54) GALR3NR2F2EGFRLMNATNF
SCHEMBL2480481 0.79 GALR3 (0.45) GALR3LMNARAB9ASMN1; SMN2HSD17B10
SCHEMBL4263771 0.78 ALDH1A1 (0.57) GALR3NR2F2EGFRLMNATNF
SCHEMBL4263769 0.78 ALDH1A1 (0.57) GALR3NR2F2EGFRLMNATNF
SCHEMBL11110706 0.77 GALR3 (0.51) GALR3NR2F2EGFRLMNATNF
SCHEMBL11100649 0.77 GALR3 (0.57) GALR3NR2F2EGFRLMNATNF
SCHEMBL11596041 0.76 RAB9A (0.43) GALR3LMNARAB9ASMN1; SMN2HSD17B10

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 GALR3 4172/4885NR2F2 2743/4885EGFR 4709/4885

“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.