SCHEMBL20877697

SCHEMBL20877697

CCCC(C)(C)c1ccnc(NC)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 3/20 0.35
CNR2 P34972 5/20 0.33
CNR1 P21554 3/20 0.33
MAPK1 P28482 1/20 0.33
NR3C2 P08235 2/20 0.33
TYK2 P29597 1/20 0.32
ESR1 P03372 1/20 0.32
PRKCQ Q04759 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ADRB2 P07550 1/20 0.30
HPGD P15428 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL18924326 0.80 KDM4E (0.40) ALDH1A1GAAL3MBTL1ARKDM4E
SCHEMBL2054606 0.78 ALDH1A1 (0.41) ALDH1A1GAAL3MBTL1MAPK1NR3C2
SCHEMBL19863918 0.77 UHRF1 (0.42) ARCNR2CNR1ESR1
SCHEMBL21719254 0.76 RECQL (0.39) ARCNR2CNR1
SCHEMBL21718459 0.76 AR (0.48) ARCNR2CNR1MAPK1ESR1
SCHEMBL23879473 0.76 CNR2 (0.38) ALDH1A1L3MBTL1ARCNR2CNR1
SCHEMBL18431456 0.76 NOS2 (0.52) ARCNR2CNR1PRKCQPRKCA
SCHEMBL19592834 0.76 MKNK1 (0.47) ARCNR2CNR1ESR1ADRB2
SCHEMBL27099646 0.75 RAB9A (0.34) ALDH1A1GAAPRKCAPRKCDPRKD1
SCHEMBL18765834 0.74 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1ARNR3C2

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-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 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-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 ALDH1A1 2563/4885GAA 1957/4885L3MBTL1 2143/4885

“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.