SCHEMBL8266903

SCHEMBL8266903

CC(C)N(C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1F)c1ccc2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 3/20 0.38
▸ WDR5 P61964 2/20 0.38
▸ PIK3CA P42336 4/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ PIK3R1 P27986 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL11923212 0.96 PIK3CA (0.38) WDR5PIK3CATACR1PTPN11ABL1
SCHEMBL8267189 0.93 OGA (0.39) OGATACR1TRPM8
SCHEMBL8267739 0.89 TACR1 (0.38) OGATACR1MEN1KMT2ATSHR
SCHEMBL11923223 0.88 PTPN11 (0.43) WDR5PIK3CATACR1PTPN11ABL1
SCHEMBL8267659 0.86 WDR5 (0.44) WDR5PIK3CATACR1PTPN11ABL1
SCHEMBL11923285 0.85 CYP1A2 (0.44) WDR5TP53MEN1KMT2ATSHR
SCHEMBL11923270 0.84 WDR5 (0.43) WDR5PIK3CAMEN1KMT2ATSHR
SCHEMBL11923275 0.84 TACR1 (0.40) WDR5PIK3CATACR1PTPN11ABL1
SCHEMBL8268304 0.83 ALDH1A1 (0.42) WDR5PIK3CATACR1PTPN11ABL1
SCHEMBL11923264 0.83 MAPT (0.35) TACR1TP53MEN1KMT2ATSHR

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 OGA 1705/4885WDR5 3707/4885PIK3CA 1471/4885

“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.

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