SCHEMBL21138780

SCHEMBL21138780

Nc1ncnc2c(C3CCCCC3)onc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.41
PI4KA P42356 4/20 0.41
PI4K2B Q8TCG2 4/20 0.41
PI4K2A Q9BTU6 4/20 0.41
PI4KB Q9UBF8 4/20 0.41
ADORA3 P0DMS8 4/20 0.39
ADORA1 P30542 4/20 0.39
RET P07949 4/20 0.37
TDO2 P48775 2/20 0.37
PDE8B O95263 1/20 0.36
ADORA2B P29275 2/20 0.36
MAP4K4 O95819 3/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL21057417 0.81 KMO (0.33) TDO2TP53MAPK1ALDH1A1
SCHEMBL19917015 0.73 FFAR2 (0.39) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL21159362 0.62 EGFR (0.42) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL19917018 0.62 EGFR (0.42) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL19917175 0.61 PDE5A (0.35) TDO2TP53MAPK1MEN1ALDH1A1
SCHEMBL17603703 0.60 NPC1 (0.33)
SCHEMBL22716378 0.59 ADORA2A (0.38) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL14379265 0.59 DGAT1 (0.47) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL18977643 0.59 POLB (0.50) TDO2PDE8BCYP2C9HSD17B10MEN1
SCHEMBL16075033 0.58 RET (0.38) ADORA2API4KAPI4K2BPI4K2API4KB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADORA2A 1642/4885PI4KA 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.