SCHEMBL5667237

SCHEMBL5667237

C[CH]C(N)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GOPC Q9HD26 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.43
CYP19A1 P11511 2/20 0.43
GAA P10253 1/20 0.42
KCNA5 P22460 3/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNN4 O15554 2/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP17A1 P05093 1/20 0.39

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
SCHEMBL6822525 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL9312689 0.80 CFTR (0.48) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL8466217 0.79 CFTR (0.52) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL15547862 0.78 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
Hydrochloric Acid SCHEMBL9671497 0.78 CFTR (0.47) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1985149 0.78 CFTR (0.50) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL1455475 0.77
SCHEMBL1266179 0.77
SCHEMBL222775 0.77
SCHEMBL29668672 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN claimed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN disclosed
US-20060074112-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ 2006-04-06 US disclosed
US-7002022-B2 N-Aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF NOVARTIS AG (CH) 2006-02-21 US disclosed
US-6878720-B2 VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2005-04-12 US disclosed
US-20040198782-A1 N-aryl (THIO) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2004-10-07 US disclosed
US-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors ALTMANN KARL-HEINZ (CH) 2003-04-03 US disclosed
US-6448277-B2 ANTITUOR AGENTS, ANTICARCINOGENIC AGENTS NOVARTIS AG (CH) 2002-09-10 US disclosed
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2002-02-14 US disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
EP-1129075-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2001-09-05 EP disclosed
WO-2000027820-A1 N-ARYL(THIO)ANTHRANILIC ACID AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS VEGF RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2000-05-18 WO disclosed
CN-1222909-A Pyrazinone thrombin inhibitors MERCK & CO INC (US) 1999-07-14 CN disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US 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 (4 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-20030064992-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, NR2E3 CFTR 1779/4885SLC6A2 3091/4885SLC6A4 2839/4885
US-20060074112-A1 N-aryl (thio) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors NR2E3, AXL, FLT1 CFTR 1313/4885SLC6A2 3391/4885SLC6A4 2970/4885
US-20020019414-A1 N-aryl(thio)anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, KDR CFTR 1671/4885SLC6A2 3058/4885SLC6A4 2827/4885
US-20040198782-A1 N-aryl (THIO) anthranilic acid amide derivatives, their preparation and their use as VEGF receptor tyrosine kinase inhibitors AXL, TYRO3, NR2E3 CFTR 1753/4885SLC6A2 3045/4885SLC6A4 2829/4885

“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.