SCHEMBL14768666

SCHEMBL14768666

COc1cc(Cl)nc2c1nnn2C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
ALDH1A1 P00352 9/20 0.39
GAA P10253 3/20 0.39
FLT3 P36888 1/20 0.38
HSD17B10 Q99714 3/20 0.37
CASP1 P29466 1/20 0.37
TSHR P16473 5/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 2/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
KDM1A O60341 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL14768701 0.82 PDE5A (0.38) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL21138340 0.71 PDE5A (0.38) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL21057518 0.70 PDE8B (0.39) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL14768665 0.69 HCAR3 (0.42) ALDH1A1TSHRNPSR1SMN1; SMN2ADORA2A
SCHEMBL11407712 0.69 GRM2 (0.56) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL21138862 0.68 KDM1A (0.40) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL11622927 0.66 ADORA2A (0.40) ALDH1A1SMN1; SMN2ADORA2A
SCHEMBL13313436 0.65 NQO2 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL21138214 0.65 PDE8B (0.51) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL21057352 0.65 PDE8B (0.38) PDE5APDE1APDE1BPDE1CALDH1A1

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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 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-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 PDE5A 2703/4885PDE1A 3015/4885PDE1B 2569/4885

“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.