SCHEMBL3489685

SCHEMBL3489685

COc1ccc(Oc2ccc(N)c(N)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.55
LTA4H P09960 2/20 0.52
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
CYP3A4 P08684 3/20 0.50
THRB P10828 2/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
MCL1 Q07820 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 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
SCHEMBL718307 0.89 NR4A1 (0.94) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL11528530 0.89 NR4A1 (0.94) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL29387850 0.86 ALDH1A1 (0.64) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL234263 0.86 ALDH1A1 (0.64) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL29414642 0.86 NR4A1 (1.00) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
SCHEMBL296169 0.86 NR4A1 (1.00) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL202563 0.84 ALDH1A1 (0.68) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL215131 0.84 ALDH1A1 (0.68) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL29524042 0.84 ALDH1A1 (0.68) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1
Hydrochloric Acid SCHEMBL1599676 0.84 NR4A1 (0.94) NR4A1SMN1; SMN2ALDH1A1TDP1MEN1

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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
EP-2125805-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075109-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 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-20100093748-A1 SUBSTITUTED PIPERIDINES HAVING PROTEIN KINASE INHIBITING ACTIVITY PRKAR2B, GRK3, PRKAR2A NR4A1 214/4885SMN1; SMN2 3258/4885LTA4H 4352/4885

“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.