SCHEMBL7616472

SCHEMBL7616472

O=C1Nc2ncc(-c3ccco3)cc2C1=CNc1ccc(N2CCOCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
CNR2 P34972 4/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
DGAT1 O75907 4/20 0.36
LMNA P02545 2/20 0.36
TDO2 P48775 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
STK4 Q13043 1/20 0.36
STK3 Q13188 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
APP P05067 1/20 0.35
POLB P06746 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
SCHEMBL7616464 1.00 HDAC3 (0.37) HDAC3HDAC2CNR2RAB9ANPC1
SCHEMBL7611481 0.88 DGAT1 (0.44) CNR2RAB9ANPC1DGAT1TDO2
SCHEMBL7611470 0.88 DGAT1 (0.44) CNR2RAB9ANPC1DGAT1TDO2
SCHEMBL7699131 0.87 CSF1R (0.40) HDAC3HDAC2CNR2RAB9ANPC1
SCHEMBL7699129 0.87 CSF1R (0.40) HDAC3HDAC2CNR2RAB9ANPC1
SCHEMBL7606823 0.83 GAK (0.40) CNR2RAB9ANPC1LMNATDO2
SCHEMBL7606838 0.83 GAK (0.40) CNR2RAB9ANPC1LMNATDO2
SCHEMBL7611753 0.83 FLT3 (0.46) CNR2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL7611744 0.83 FLT3 (0.46) CNR2RAB9ANPC1LMNASMN1; SMN2
SCHEMBL7609852 0.81 RAB9A (0.41) CNR2RAB9ANPC1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia GLENNON KIMBERLEY CAROLINE (US) 2002-07-25 US claimed

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-20020099071-A1 Protein tyrosine kinase and protein serin/threonine kinase inhibitory activity; anticancer agents; treating chemotherapy induced alopecia PRKDC, PRKX, BMX HDAC3 2703/4885HDAC2 2559/4885CNR2 4208/4885

“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.