SCHEMBL5111507

SCHEMBL5111507

Clc1ccnc(Oc2nccc(Cl)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
RPS6KA5 O75582 2/20 0.33
RPS6KA4 O75676 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
RECQL P46063 1/20 0.31

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
SCHEMBL9120208 0.83 SCN9A (0.49) SCN9AMAPTL3MBTL1LMNACYP1A2
SCHEMBL1414939 0.83 SCN9A (0.67) SCN9AMAPTL3MBTL1LMNACYP1A2
SCHEMBL61938 0.81
SCHEMBL1415792 0.80 L3MBTL1 (0.63) SCN9AMAPTL3MBTL1CYP1A2CYP2C9
SCHEMBL4019533 0.80 ALDH1A1 (0.46) SCN9AMAPTLMNACYP1A2GAA
SCHEMBL1415435 0.80 SCN9A (0.50) SCN9AMAPTL3MBTL1GAACYP2C9
SCHEMBL10681003 0.80 MEN1 (0.61) SCN9AMAPTL3MBTL1GAAMEN1
SCHEMBL1415469 0.80 ALDH1A1 (0.57) SCN9AMAPTL3MBTL1LMNACYP1A2
SCHEMBL22730324 0.79 BRD4 (0.42) SCN9AMAPTL3MBTL1LMNACYP1A2
SCHEMBL8958798 0.78 SCN9A (0.33) SCN9ARPS6KA5RPS6KA4RXRAGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7279475-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-10-09 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
EP-1549621-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-07-06 EP disclosed
US-6872726-B2 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-29 US disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-20050032797-A1 Fluorinated di-aryl urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 US disclosed
US-20040077647-A1 Cytokine inhibitors, antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2004014870-A1 FLUORINATED PHENYL-NAPHTHALENYL-UREA COMPOUNDS AS INHIBITORS OF CYTOKINES INVOLVED IN INFLAMMATORY PROCESSES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-19 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 (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-20040077647-A1 Cytokine inhibitors, antiinflammatory agents IL1B, IL1A, TNF SCN9A 2657/4885MAPT 3731/4885L3MBTL1 4741/4885
US-20050032797-A1 Fluorinated di-aryl urea compounds IL1B, MPO, IL1A SCN9A 3129/4885MAPT 2301/4885L3MBTL1 4755/4885
US-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 SCN9A 2867/4885MAPT 4440/4885L3MBTL1 4296/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 SCN9A 2714/4885MAPT 4352/4885L3MBTL1 4004/4885

“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.