SCHEMBL986124

SCHEMBL986124

Ic1cnn(CCN2CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
TERT O14746 1/20 0.35
SIGMAR1 Q99720 9/20 0.35
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PTK2 Q05397 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL2581848 0.98 TERT (0.38) CHRNB2CHRNA4JAK2JAK3JAK1
SCHEMBL15507805 0.86 PAICS (0.38) SIGMAR1TDP1HRH3
SCHEMBL5198308 0.86 PIM1 (0.41) JAK2JAK3JAK1TYK2SIGMAR1
SCHEMBL13541908 0.79 JAK2 (0.37) JAK2JAK3JAK1TYK2L3MBTL1
SCHEMBL1703040 0.78 SIGMAR1 (0.41) JAK2JAK3JAK1TYK2L3MBTL1
SCHEMBL11946810 0.78 HRH3 (0.42) JAK2JAK3JAK1TYK2SIGMAR1
SCHEMBL17793165 0.76 HRH3 (0.41) JAK2JAK3JAK1TYK2TERT
SCHEMBL1869747 0.76 ALDH1A1 (0.39) JAK2JAK3JAK1TYK2L3MBTL1
SCHEMBL1703940 0.76 SIGMAR1 (0.43) JAK2JAK3JAK1TYK2L3MBTL1
SCHEMBL10263495 0.75 HRH3 (0.46) JAK2JAK3JAK1TYK2L3MBTL1

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-101479255-B C-MET protein kinase inhibitors for the treatment of proliferative disorders VERTEX PHARMA 2013-05-01 CN disclosed
US-8232406-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-31 US disclosed
US-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-7872031-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-18 US disclosed
EP-1768984-B1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2010-10-20 EP disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
EP-2004625-B1 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2009-12-30 EP disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-2004625-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Vertex Pharmaceuticals Incorporated (US) 2008-12-24 EP disclosed
US-20070254868-A1 C-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
WO-2007111904-A2 C-MET PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-04 WO disclosed
EP-1768984-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
WO-2006036266-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2006-04-06 WO disclosed
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. 2006-02-16 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-20110059936-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 CHRNB2 4546/4885CHRNA4 4749/4885JAK2 33/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC CHRNB2 3797/4885CHRNA4 3831/4885JAK2 652/4885
US-20070254868-A1 C-MET protein kinase inhibitors MET, PRKCH, ABL1 CHRNB2 4546/4885CHRNA4 4749/4885JAK2 33/4885
US-20060035908-A1 Thienopyrimidines useful as Aurora kinase inhibitors AURKA, AURKB, AURKC CHRNB2 3891/4885CHRNA4 4066/4885JAK2 563/4885

“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.