SCHEMBL16997387

SCHEMBL16997387

Cc1ncnc(NCc2ccc3c(c2)OCO3)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PDE2A O00408 1/20 0.57
PDE1A P54750 1/20 0.57
PDE1B Q01064 1/20 0.57
PDE1C Q14123 1/20 0.57
CLK4 Q9HAZ1 2/20 0.55
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL16997381 0.88 PDE5A (0.59) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16997386 0.85 PDE5A (0.60) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17001447 0.84 PDE5A (0.61) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16997390 0.82 PDE5A (0.59) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7495950 0.77 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2458882 0.77 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31038289 0.77 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31034788 0.77 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7493988 0.77 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7499068 0.77 PDE5A (1.00) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447081-B2 Substituted pyrimidines as pharmaceuticals and insecticides SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-09-20 US disclosed
US-9447081-B2 Substituted pyrimidines as pharmaceuticals and insecticides SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2016-09-20 US disclosed
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF SINOCHEM CORPORATION (CN) 2015-08-13 US disclosed
US-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF SINOCHEM CORPORATION (CN) 2015-08-13 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-20150225378-A1 HOMOPIPERONY LAMINE COMPOUND AND USE THEREOF CLPP, LRRK2, MYB PDE5A 270/4885MEN1 59/4885KMT2A 3039/4885

“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.