SCHEMBL4517784

SCHEMBL4517784

COc1cccc(C(=O)Nc2cc(C(=O)Nc3ccncc3)ccc2C(C)N)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MEN1 O00255 5/20 0.55
TP53 P04637 3/20 0.55
ALDH1A1 P00352 3/20 0.55
PKM P14618 2/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
ROCK2 O75116 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
POLB P06746 1/20 0.52
TTK P33981 1/20 0.52

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
Hydrochloric Acid SCHEMBL4508660 0.99 KMT2A (0.63) KMT2ALMNAHTTNPC1RAB9A
SCHEMBL4527192 0.90 KDM4E (0.64) KMT2ALMNANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4511323 0.89 KDM4E (0.63) KMT2ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL4517023 0.87 ROCK2 (0.61) KMT2ALMNAHTTNPC1RAB9A
Hydrochloric Acid SCHEMBL4511190 0.86 ROCK2 (0.62) KMT2ALMNAHTTNPC1RAB9A
SCHEMBL4521216 0.85 ROCK2 (0.55) KMT2ALMNAHTTNPC1RAB9A
SCHEMBL4523166 0.84 ROCK2 (0.66) KMT2ALMNAHTTNPC1RAB9A
Hydrochloric Acid SCHEMBL4762964 0.84 ROCK2 (0.54) KMT2ALMNAHTTNPC1RAB9A
SCHEMBL4525552 0.81 KMT2A (0.63) KMT2ALMNASMN1; SMN2MEN1ALDH1A1
Hydrochloric Acid SCHEMBL4517367 0.81 KMT2A (0.61) KMT2ALMNASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US claimed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed
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 KMT2A 3194/4885LMNA 878/4885HTT 1131/4885

“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.