SCHEMBL5250677

SCHEMBL5250677

[CH2]c1c(C#N)cc(C#N)cc1C#N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.39
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.33
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
GPR35 Q9HC97 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL2040623 0.74 VCAM1 (0.41) VCAM1TTRALBMEN1KMT2A
SCHEMBL3048555 0.74 VCAM1 (0.41) VCAM1TTRALBMEN1KMT2A
SCHEMBL3955231 0.72 TTR (0.42) VCAM1TTRALBMEN1KMT2A
SCHEMBL21918828 0.72 VCAM1 (0.39) VCAM1TTRALBMEN1KMT2A
SCHEMBL9352532 0.72 TTR (0.48) VCAM1TTRALBMEN1KMT2A
SCHEMBL17546133 0.72 TRPV4 (0.39) VCAM1TTRALBMEN1KMT2A
SCHEMBL3679283 0.72 TTR (0.54) VCAM1TTRALBMEN1KMT2A
SCHEMBL22130481 0.72 TTR (0.48) VCAM1TTRALBMEN1KMT2A
SCHEMBL11525607 0.72 VCAM1 (0.39) VCAM1TTRALBMEN1KMT2A
SCHEMBL5542222 0.72 VCAM1 (0.44) VCAM1TTRALBMEN1KMT2A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
EP-3131897-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-06-15 EP disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
EP-3131896-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2019-01-30 EP disclosed
US-9969724-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-9808445-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-20170129880-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME LLC 2017-05-11 US disclosed
EP-3131896-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
EP-3131897-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-02-22 EP disclosed
US-20170027916-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 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 (3 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-20170129880-A1 FACTOR IXa INHIBITORS F9, F12, TFPI VCAM1 1779/4885TTR 370/4885ALB 381/4885
US-20170027916-A1 FACTOR IXa INHIBITORS F9, F12, TFPI VCAM1 1779/4885TTR 370/4885ALB 381/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A VCAM1 1026/4885TTR 2563/4885ALB 856/4885

“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.