SCHEMBL16740899

SCHEMBL16740899

Cc1[nH]c(=O)c(CN)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ HTT P42858 1/20 0.41
▸ PDE10A Q9Y233 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38

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
Hydrochloric Acid SCHEMBL21113172 0.98 LOXL2 (0.42) LOXL2RAB9AALDH1A1HTTPDE10A
SCHEMBL16747720 0.81 LMNA (0.45) ALDH1A1HTTPDE10AKDM4EHSD17B10
SCHEMBL16740947 0.76 HTR1D (0.49) RAB9AALDH1A1PDE10AKDM4EHPGD
SCHEMBL16740900 0.75 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10PDE3B
SCHEMBL16740923 0.73 PDE3B (0.74) PDE10APDE3BPDE3A
SCHEMBL19846956 0.71 HTT (0.73) ALDH1A1HTTKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL18128185 0.71 PDE3B (0.72) PDE10APDE3BPDE3A
SCHEMBL16740918 0.71 PDE3B (0.53) ALDH1A1HTTKDM4EHSD17B10PDE3B
SCHEMBL31613081 0.70 HTR2A (0.67) LOXL2ALDH1A1KDM4EHSD17B10PRMT5
SCHEMBL12360750 0.70 AHR (0.52) ALDH1A1HTTKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790160-B Pyrido five-membered aromatic ring compound, preparation method and application thereof 上海海和药物研究开发股份有限公司 2022-11-15 — — CN 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-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 LOXL2 943/4885RAB9A 2297/4885ALDH1A1 2301/4885

“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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