SCHEMBL19917015

SCHEMBL19917015

Nc1ncnc2c(C3CCCCC3)noc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 6/20 0.39
PI4KA P42356 3/20 0.37
PI4K2B Q8TCG2 3/20 0.37
PI4K2A Q9BTU6 3/20 0.37
PI4KB Q9UBF8 3/20 0.37
ADORA2A P29274 3/20 0.37
RET P07949 4/20 0.36
TDO2 P48775 2/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 2/20 0.35
PDE5A O76074 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
DGAT1 O75907 1/20 0.34
PDE8B O95263 1/20 0.33
LIMK1 P53667 1/20 0.33

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
SCHEMBL19917175 0.83 PDE5A (0.35) FFAR2TDO2PDE5APDE1APDE1B
SCHEMBL21138780 0.73 ADORA2A (0.41) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL19917190 0.70 PDE5A (0.45) PDE5APDE1APDE1BPDE1C
SCHEMBL13847197 0.69 ADORA2A (0.35) ADORA2AADORA3
SCHEMBL22601381 0.67 LIMK1 (0.40) ADORA2ARETTDO2ADORA1PDE5A
SCHEMBL19917018 0.67 EGFR (0.42) FFAR2PI4KAPI4K2BPI4K2API4KB
SCHEMBL21159362 0.67 EGFR (0.42) FFAR2PI4KAPI4K2BPI4K2API4KB
SCHEMBL16075033 0.64 RET (0.38) FFAR2PI4KAPI4K2BPI4K2API4KB
SCHEMBL24499986 0.64 LIMK1 (0.37) FFAR2PI4KAPI4K2BPI4K2API4KB
SCHEMBL16074973 0.61 RET (0.50) PI4KAPI4K2BPI4K2API4KBADORA2A

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 FFAR2 2954/4885PI4KA 1612/4885PI4K2B 1818/4885

“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.