SCHEMBL3436657

SCHEMBL3436657

CCn1nc(-c2ccccc2OC)cc1CO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
FYN P06241 4/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
HSP90AA1 P07900 1/20 0.40
METAP2 P50579 1/20 0.40

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
SCHEMBL10049091 0.87 TP53 (0.39) TP53
SCHEMBL10049090 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBGAAHPGD
SCHEMBL10049095 0.84 HSP90AA1 (0.43) ALDH1A1KDM4ETP53HSP90AA1
SCHEMBL3436658 0.84 KDM4E (0.48) ALDH1A1KDM4EPOLBGAAFYN
SCHEMBL3434182 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL19936498 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBGAAHPGD
SCHEMBL10049058 0.77 CA1 (0.56) ALDH1A1FYNHPGDHSD17B10MAPT
SCHEMBL10049093 0.72 CRHR1 (0.38) ALDH1A1POLBTP53MAPT
SCHEMBL3436655 0.70 KCNH2 (0.41)
SCHEMBL19936567 0.70 HSP90AA1 (0.43) ALDH1A1KDM4ETP53HSP90AA1

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 7 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
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
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 ALDH1A1 1594/4885KDM4E 1069/4885POLB 1026/4885

“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.