SCHEMBL17400025

SCHEMBL17400025

COC(=O)c1ccc(CCCc2nc(N3CCOCC3)nc(C)c2Br)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35

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
SCHEMBL17400105 0.85 ALDH1A1 (0.43) ALDH1A1TSHRNPSR1PIK3CAMTOR
SCHEMBL17429704 0.77 UCHL1 (0.33) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL17400023 0.76 UCHL1 (0.39) ALDH1A1TSHRNPSR1PIK3CAKMT2A
SCHEMBL17400045 0.75 UCHL1 (0.33) ALDH1A1KDM4EGAA
SCHEMBL17429652 0.74 UCHL1 (0.33) ALDH1A1MAPTKDM4ETP53MGLL
SCHEMBL17429645 0.73 TDP1 (0.35) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL17385776 0.73 UCHL1 (0.38) ALDH1A1TSHRNPSR1KMT2AMEN1
SCHEMBL17429651 0.72 CYP4A11 (0.38) ALDH1A1KMT2AMAPTMEN1CYP1A2
SCHEMBL17429702 0.72 CXCR2 (0.35) ALDH1A1TSHRKMT2AMEN1LMNA
SCHEMBL17386326 0.71 ALDH1A1 (0.48) ALDH1A1TSHRNPSR1PIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 — — US disclosed
US-9643946-B2 Tricyclic compound and use thereof SK CHEMICALS CO., LTD. (KR) 2017-05-09 — — US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 — — US disclosed
US-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF SK CHEMICALS CO., LTD. (KR) 2016-01-14 — — US disclosed
EP-2963027-A1 TRICYCLIC COMPOUND AND USE THEREOF SK Chemicals Co., Ltd. (KR) 2016-01-06 — — EP 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-20160009677-A1 TRICYCLIC COMPOUND AND USE THEREOF GPR65, GPR119, GPR35 ALDH1A1 2066/4885TSHR 1867/4885NPSR1 163/4885

“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.

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