SCHEMBL8266012

SCHEMBL8266012

O=C(NC(CN1CCCC1)c1ccccc1)c1cnc(N2CCOCC2)nc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 7/20 0.46
PTPN11 Q06124 1/20 0.44
AURKA O14965 2/20 0.43
CDC7 O00311 1/20 0.43
CHEK1 O14757 1/20 0.43
JAK2 O60674 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
PRKCB P05771 1/20 0.43
INSR P06213 1/20 0.43
RET P07949 1/20 0.43
KIT P10721 1/20 0.43
FGFR1 P11362 1/20 0.43
PRKACA P17612 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
JAK3 P52333 1/20 0.43
PDK1 Q15118 1/20 0.43
AURKB Q96GD4 1/20 0.43
STK26 Q9P289 1/20 0.43

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
SCHEMBL11923306 0.81 PTPN11 (0.46) MAPK1PTPN11KDM4EALDH1A1
SCHEMBL2948308 0.79 PTPN11 (0.52) MAPK1PTPN11KDM4EALDH1A1
SCHEMBL8268278 0.77 ABL1 (0.52) PTPN11KDM4EALDH1A1
SCHEMBL11923280 0.77 PTPN11 (0.47) MAPK1PTPN11KDM4EALDH1A1
SCHEMBL11923177 0.77 ALDH1A1 (0.47) PTPN11ALDH1A1
SCHEMBL8267705 0.77 PTPN11 (0.48) PTPN11KDM4EALDH1A1
SCHEMBL8267373 0.76 ABL1 (0.51) PTPN11KDM4EALDH1A1
SCHEMBL11923291 0.76 ALDH1A1 (0.48) PTPN11ALDH1A1
SCHEMBL11923305 0.76 PDE4B (0.46) PTPN11KDM4EALDH1A1
SCHEMBL11923370 0.76 ALDH1A1 (0.46) PTPN11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 US disclosed
US-8546414-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-01 US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-20120270318-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-8236815-B2 Ion channel modulators and methods of uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-07 US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-7767680-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-03 US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20100184753-A1 Ion Channel Modulators and Methods of Uses VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 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-20100184753-A1 Ion Channel Modulators and Methods of Uses CACNA1G, CACNA1C, CACNA1B MAPK1 4074/4885PTPN11 3043/4885AURKA 2721/4885

“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.