SCHEMBL2985458

SCHEMBL2985458

Nc1ccc2[nH]ccc2c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.38
KDR P35968 1/20 0.37
PARP1 P09874 2/20 0.36
GPR84 Q9NQS5 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 3/20 0.34
HTR6 P50406 2/20 0.33
MAPK1 P28482 2/20 0.33
ADRB1 P08588 1/20 0.33
RHEB Q15382 1/20 0.33
DRD1 P21728 1/20 0.32
MPO P05164 1/20 0.32
PIK3CD O00329 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL31431597 1.00 AHR (0.38) AHRKDRPARP1GPR84RECQL
SCHEMBL6871032 0.77 PARP1 (0.42) AHRKDRPARP1GPR84TRPA1
SCHEMBL28906650 0.74 RHEB (0.40) AHRPARP1RECQLTDP1RHEB
SCHEMBL31432146 0.74 AHR (0.47) AHRPARP1GPR84RECQLTDP1
SCHEMBL18529441 0.74 AHR (0.47) AHRPARP1GPR84RECQLTDP1
SCHEMBL724626 0.74 AHR (0.38) AHRPARP1RECQLTDP1HTR6
SCHEMBL20461937 0.74 PARP1 (0.40) AHRKDRPARP1GPR84TRPA1
SCHEMBL7448671 0.74 RHEB (0.47) AHRPARP1GPR84RHEB
SCHEMBL13425079 0.74 AHR (0.38) AHRKDRPARP1GPR84TRPA1
SCHEMBL1565897 0.74 AHR (0.52) AHRKDRPARP1GPR84TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed
EP-2029543-B1 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH LLC (US) 2015-11-18 EP disclosed
CN-101466678-B Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP 2012-12-26 CN disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
CN-101466678-A Substituted 3-cyanopyridines as protein kinase inhibitors WYETH CORP (US) 2009-06-24 CN disclosed
EP-2029543-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2009-03-04 EP disclosed
EP-2007756-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmceuticals Incorporated (US) 2008-12-31 EP disclosed
WO-2007146376-A2 SUBSTITUTED 3-CYANOPYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2007-12-21 WO disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 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-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 AHR 4614/4885KDR 1209/4885PARP1 919/4885

“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.