SCHEMBL16765780

SCHEMBL16765780

Cc1cc(C)c(NC(=O)c2sc(NCNCCC(C)C)nc2C)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.61
MAPK14 Q16539 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL775027 0.85 LCK (0.75) LCK
SCHEMBL18047822 0.80 LCK (0.69) LCKMAPK14NPC1ALDH1A1RAB9A
SCHEMBL5670274 0.79 LCK (0.62) LCKMAPK14NPC1RAB9A
SCHEMBL773359 0.78 LCK (0.64) LCK
SCHEMBL1539916 0.77 LCK (0.78) LCKALDH1A1
SCHEMBL773488 0.77 LCK (0.82) LCK
SCHEMBL21155423 0.77 LCK (0.65) LCKALDH1A1
SCHEMBL773594 0.76 LCK (0.85) LCK
SCHEMBL1540000 0.76 LCK (1.00) LCKALDH1A1
Benzene SCHEMBL773080 0.76 LCK (0.69) LCKMAPK14NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382219-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-05 US disclosed
US-20150158830-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-11 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-20150158830-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK LCK 1/4885MAPK14 183/4885NPC1 4479/4885

“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.