SCHEMBL11923375

SCHEMBL11923375

CC1CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ ABL1 P00519 2/20 0.48
▸ BCR P11274 2/20 0.48
▸ BRAF P15056 1/20 0.46
▸ PIK3R1 P27986 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ ADRA1A P35348 1/20 0.43
▸ PTPN11 Q06124 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41

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
SCHEMBL8267844 0.91 ABL1 (0.53) KDM4EABL1BCRLMNAHTT
SCHEMBL8267367 0.90 ABL1 (0.45) KDM4EABL1BCRBRAFPIK3R1
SCHEMBL8268278 0.89 ABL1 (0.52) KDM4EABL1BCRLMNAHTT
SCHEMBL8267373 0.88 ABL1 (0.51) KDM4EABL1BCRLMNAHTT
SCHEMBL8265841 0.85 MAPT (0.47) ABL1BCRLMNAHTTTP53
SCHEMBL8266816 0.85 ABL1 (0.48) KDM4EABL1BCRLMNAHTT
SCHEMBL2948308 0.82 PTPN11 (0.52) KDM4EABL1BCRLMNAPTPN11
SCHEMBL11923288 0.82 ALDH1A1 (0.47) ABL1BCRLMNATP53ALDH1A1
SCHEMBL8267648 0.82 PDE4B (0.49) KDM4EABL1BCRLMNAHTT
SCHEMBL11923196 0.81 PDK1 (0.51) ABL1BCRLMNARORC

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
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

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 KDM4E 2579/4885ABL1 3688/4885BCR 4554/4885

“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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