SCHEMBL16740947

SCHEMBL16740947

COc1ccc2c(C)[nH]c(=O)c(CN)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ PDE3B Q13370 4/20 0.49
▸ PDE3A Q14432 4/20 0.49
▸ PDE10A Q9Y233 7/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ AKR1C2 P52895 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ PARP14 Q460N5 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ HTR2B P41595 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL16740923 0.80 PDE3B (0.74) PDE3BPDE3APDE10A
SCHEMBL16740921 0.80 AKR1C2 (0.48) PDE3BPDE3APDE10AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL18128185 0.79 PDE3B (0.72) PDE3BPDE3APDE10A
SCHEMBL16740905 0.77 PDE3B (0.64) PDE3BPDE3AKDM4EHSD17B10LMNA
SCHEMBL16740899 0.76 LOXL2 (0.43) PDE3BPDE3APDE10AKDM4EHSD17B10
SCHEMBL16747720 0.75 LMNA (0.45) PDE3BPDE3APDE10AKDM4EHSD17B10
SCHEMBL16740945 0.75 KDM4E (0.49) PDE3BPDE3AKDM4EHSD17B10LMNA
Hydrochloric Acid SCHEMBL21113172 0.74 LOXL2 (0.42) PDE3BPDE3APDE10AKDM4EHSD17B10
SCHEMBL16747804 0.74 HSD17B10 (0.42) PDE3BPDE3APDE10AKDM4EHSD17B10
SCHEMBL1470937 0.71 PARP15 (0.52) PDE3BPDE3AKDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-9738630-B2 Inhibitors of lysine methyl transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
US-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2016-10-13 — — US disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — WO disclosed
WO-2015077193-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 — — 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-20160297806-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE EZH2, DOT1L, EHMT1 HTR1D 4430/4885HTR6 3602/4885PDE3B 3943/4885

“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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