SCHEMBL7606838

SCHEMBL7606838

O=C1Nc2ncc(-c3ccsc3)cc2C1=CNc1ccc(N2CCOCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 1/20 0.40
ADK P55263 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 2/20 0.37
FYN P06241 1/20 0.36
HDAC1 Q13547 1/20 0.36
TDO2 P48775 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
PRKDC P78527 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 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
SCHEMBL7606823 1.00 GAK (0.40) GAKADKLMNASMN1; SMN2NPC1
SCHEMBL7611481 0.88 DGAT1 (0.44) NPC1RAB9ACNR2TDO2CYP1A2
SCHEMBL7611470 0.88 DGAT1 (0.44) NPC1RAB9ACNR2TDO2CYP1A2
SCHEMBL7616472 0.83 HDAC3 (0.37) LMNASMN1; SMN2NPC1RAB9ACNR2
SCHEMBL7616464 0.83 HDAC3 (0.37) LMNASMN1; SMN2NPC1RAB9ACNR2
SCHEMBL7611744 0.83 FLT3 (0.46) LMNASMN1; SMN2NPC1RAB9ACNR2
SCHEMBL7611753 0.83 FLT3 (0.46) LMNASMN1; SMN2NPC1RAB9ACNR2
SCHEMBL3573113 0.80 FYN (0.42) RAB9AFYNHDAC1TDO2KMT2A
SCHEMBL3573105 0.80 FYN (0.42) RAB9AFYNHDAC1TDO2KMT2A
SCHEMBL7609857 0.79 RAB9A (0.41) LMNASMN1; SMN2NPC1RAB9ACNR2

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 GAK 176/4885ADK 239/4885LMNA 4275/4885

“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.