SCHEMBL13713261

SCHEMBL13713261

CC(N)c1ccc(C(=O)Nc2ccncc2)cc1NC(=O)c1ccco1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HSD17B10 Q99714 3/20 0.54
HPGD P15428 3/20 0.54
ALDH1A1 P00352 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
ROCK2 O75116 3/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
ROCK1 Q13464 2/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
APOBEC3G Q9HC16 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48

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
SCHEMBL4517023 0.85 ROCK2 (0.61) SMN1; SMN2HTTROCK2MEN1KMT2A
Hydrochloric Acid SCHEMBL4511190 0.84 ROCK2 (0.62) SMN1; SMN2HTTROCK2MEN1KMT2A
SCHEMBL4527276 0.83 ROCK2 (0.51) SMN1; SMN2HSD17B10HPGDALDH1A1MAPK1
Hydrochloric Acid SCHEMBL4513943 0.82 ROCK2 (0.50) SMN1; SMN2HSD17B10HPGDALDH1A1MAPK1
SCHEMBL4525552 0.81 KMT2A (0.63) SMN1; SMN2ALDH1A1TSHRMAPK1ROCK2
SCHEMBL4520669 0.81 ROCK2 (0.64) HSD17B10HPGDALDH1A1ALOX15MAPK1
SCHEMBL4521216 0.81 ROCK2 (0.55) SMN1; SMN2HTTROCK2MEN1KMT2A
SCHEMBL4517385 0.81 ROCK2 (0.61) SMN1; SMN2HSD17B10HPGDALDH1A1TSHR
Hydrochloric Acid SCHEMBL4517367 0.81 KMT2A (0.61) SMN1; SMN2ALDH1A1TSHRMAPK1ROCK2
SCHEMBL4519239 0.81 ROCK2 (0.57) SMN1; SMN2ALDH1A1HTTROCK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 SMN1; SMN2 3162/4885HSD17B10 2684/4885HPGD 1950/4885

“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.