SCHEMBL1706620

SCHEMBL1706620

CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4ccc([N+](=O)[O-])cc4)n3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.74
CTSC P53634 1/20 0.62
JAK2 O60674 1/20 0.59
BLK P51451 1/20 0.59
BMX P51813 1/20 0.59
JAK3 P52333 1/20 0.59
MAP3K7 O43318 3/20 0.58
MAP2K1 Q02750 3/20 0.58
MAPK1 P28482 1/20 0.56
FLT3 P36888 1/20 0.56
BRD4 O60885 5/20 0.56
ALK Q9UM73 1/20 0.55

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
SCHEMBL1706135 0.85 EGFR (0.72) EGFRCTSCJAK2BLKBMX
SCHEMBL1707115 0.81 EGFR (0.83) EGFRCTSCJAK2BLKBMX
SCHEMBL2949686 0.78 BRD4 (0.63) EGFRJAK2FLT3BRD4ALK
SCHEMBL16370940 0.78 EGFR (0.71) EGFRCTSCJAK2BLKBMX
SCHEMBL10127917 0.78 CTSC (0.71) EGFRCTSCJAK2BLKBMX
SCHEMBL1706808 0.77 EGFR (1.00) EGFRCTSCJAK2BLKBMX
SCHEMBL23704663 0.75 ALK (0.74) EGFRCTSCJAK2JAK3MAP2K1
SCHEMBL30331219 0.75 ALK (0.74) EGFRCTSCJAK2JAK3MAP2K1
SCHEMBL29351880 0.74 EGFR (1.00) EGFRCTSCJAK2BLKBMX
SCHEMBL30854720 0.74 EGFR (1.00) EGFRCTSCJAK2BLKBMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders DANA-FARBER CANCER INSTITUTE, INC. 2019-02-07 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
US-9908884-B2 EGFR inhibitors and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-06 US disclosed
EP-2440559-B1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INST INC (US) 2018-01-10 EP disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
US-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-19 US disclosed
EP-2440559-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2012-04-18 EP disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 WO disclosed
WO-2010129053-A2 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS DANA FARBER CANCER INSTITUTE (US) 2010-11-11 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 (2 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-20120094999-A1 EGFR INHIBITORS AND METHODS OF TREATING DISORDERS EGFR, ERBB2, ERBB4 EGFR 1/4885CTSC 1415/4885JAK2 14/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 EGFR 1/4885CTSC 1415/4885JAK2 14/4885

“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.