SCHEMBL8267844

SCHEMBL8267844

O=C(c1cnc(N2CCOCC2)nc1-c1ccccc1F)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.53
▸ BCR P11274 2/20 0.53
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.48
▸ ALOX5AP P20292 3/20 0.48
▸ FEN1 P39748 3/20 0.48
▸ PTPN11 Q06124 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PDE4B Q07343 4/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL8268278 0.96 ABL1 (0.52) ABL1BCRLMNAHTTALOX5AP
SCHEMBL8267373 0.95 ABL1 (0.51) ABL1BCRLMNAHTTALOX5AP
SCHEMBL8266816 0.92 ABL1 (0.48) ABL1BCRLMNAHTTALOX5AP
SCHEMBL11923375 0.91 KDM4E (0.48) ABL1BCRLMNAHTTALOX5AP
SCHEMBL2948308 0.89 PTPN11 (0.52) ABL1BCRLMNAPTPN11ALDH1A1
SCHEMBL8267648 0.88 PDE4B (0.49) ABL1BCRLMNAHTTPTPN11
SCHEMBL8267367 0.88 ABL1 (0.45) ABL1BCRLMNAHTTPTPN11
SCHEMBL11923225 0.86 ALDH1A1 (0.44) ABL1BCRLMNAPTPN11ALDH1A1
SCHEMBL11923202 0.85 ABL1 (0.43) ABL1BCRLMNAHTTPTPN11
SCHEMBL8267325 0.84 ALDH1A1 (0.44) ABL1BCRLMNAALOX5APFEN1

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 ABL1 3688/4885BCR 4554/4885LMNA 2537/4885

“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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