SCHEMBL3436178

SCHEMBL3436178

COc1ccc(CN(C)N)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.51
HTR7 P34969 2/20 0.45
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TAS2R14 Q9NYV8 1/20 0.43
DBH P09172 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
CA2 P00918 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14426480 0.85 HTR7 (0.60) AOC3HTR7CRHBPCRHR2SMN1; SMN2
SCHEMBL3436222 0.85 AOC3 (0.69) AOC3HTR7SMN1; SMN2CYP1A2CYP3A4
SCHEMBL3436226 0.81 HTT (0.52) AOC3HTR7TAS2R14DBHKDM4E
SCHEMBL10049174 0.81 CYP1A2 (0.60) AOC3CYP1A2CYP3A4GAAMEN1
SCHEMBL29031379 0.79 AOC3 (0.50) AOC3HTR7SMN1; SMN2CYP1A2CYP3A4
SCHEMBL702173 0.77 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2DBHCYP1A2
SCHEMBL4159800 0.77 CRHBP (0.50) CRHBPCRHR2SMN1; SMN2TAS2R14DBH
SCHEMBL21871860 0.77 TAS2R14 (0.48) HTR7CRHBPCRHR2SMN1; SMN2TAS2R14
SCHEMBL11282191 0.77 CA2 (0.68) CRHBPCRHR2SMN1; SMN2DBHGAA
Hydrochloric Acid SCHEMBL4689371 0.76 CRHBP (0.49) CRHBPCRHR2SMN1; SMN2DBHCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI AOC3 2592/4885HTR7 4306/4885CRHBP 1558/4885

“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.