SCHEMBL16997385

SCHEMBL16997385

FC(F)(F)c1ncnc(NCCc2ccc3c(c2)OCO3)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FLT1 P17948 3/20 0.48
KDR P35968 3/20 0.48
CLK4 Q9HAZ1 4/20 0.44
CLK1 P49759 2/20 0.43
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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 0.83 PDE5A (0.59) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16997383 0.82 PDE5A (0.56) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17001442 0.82 PDE5A (0.55) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL16997382 0.81 PDE5A (0.57) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28088239 0.77 RAB9A (0.59) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL17001478 0.76 SMN1; SMN2 (0.60) MEN1KMT2ASMN1; SMN2
SCHEMBL7618932 0.75 PDE5A (0.57) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7617647 0.74 PDE5A (0.52) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7467527 0.74 PDE5A (0.64) PDE5AMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20563312 0.74 MAP2K7 (0.53) PDE5AMEN1ALDH1A1KMT2ASMN1; 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 59/4885ALDH1A1 3907/4885

“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.