SCHEMBL4395064

SCHEMBL4395064

Nc1cnc2c(N)cnn2c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 9/20 0.52
KDR P35968 2/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL21893829 0.79 SMPD3 (0.48) SMPD3KDR
SCHEMBL28979830 0.79 KDR (0.33) SMPD3KDRFLT1FLT4PRKAB2
SCHEMBL22834525 0.79 SMPD3 (0.48) SMPD3KDRFLT1FLT4
Hydrochloric Acid SCHEMBL22835004 0.78 SMPD3 (0.47) SMPD3KDR
Hydrochloric Acid SCHEMBL22834582 0.78 SMPD3 (0.47) SMPD3KDRFLT1FLT4
SCHEMBL22842982 0.75 SMPD3 (0.44) SMPD3
SCHEMBL22834516 0.75 TGFBR2 (0.50) SMPD3KDRFLT1FLT4PRKAB1
SCHEMBL6880856 0.70 SMPD3 (0.44) SMPD3KDR
SCHEMBL5791049 0.68 SMPD3 (1.00) SMPD3
Hydrochloric Acid SCHEMBL7798075 0.67 SMPD3 (0.96) SMPD3

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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 SMPD3 1463/4885KDR 1938/4885FLT1 1118/4885

“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.