SCHEMBL21154777

SCHEMBL21154777

Cc1cc(C)c(NCc2sc(NC(=O)CCOc3ccccc3)nc2C)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 5/20 0.60
ATAD2 Q6PL18 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 4/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
LCK P06239 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL774447 0.83 RAB9A (0.70) RAB9AALDH1A1NPC1KMT2AMAPT
SCHEMBL6058235 0.76 LCK (0.66) LCK
SCHEMBL19778764 0.71 LCK (0.49) RAB9AALDH1A1NPC1KMT2AMAPT
SCHEMBL3408850 0.69 NPC1 (0.75) RAB9AALDH1A1TDP1GAANPC1
SCHEMBL774478 0.68 LCK (0.75) RAB9AALDH1A1NPC1KMT2AMAPT
SCHEMBL773084 0.67 LCK (0.71) RAB9AALDH1A1NPC1SMN1; SMN2LCK
SCHEMBL772679 0.67 LCK (0.63) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL773569 0.66 LCK (0.68) NPC1LCK
SCHEMBL775032 0.65 LCK (0.60) NPC1MAPTRXFP1LCK
SCHEMBL5516480 0.65 RXFP1 (0.61) RAB9AALDH1A1NPC1KMT2AMAPT

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-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-07-11 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-20190210986-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS LCK, ABL1, BTK RAB9A 1877/4885ALDH1A1 4758/4885ATAD2 3465/4885

“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.