SCHEMBL10127917

SCHEMBL10127917

CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(N5C(=O)C=CC5=O)c4)n3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.71
EGFR P00533 10/20 0.68
JAK2 O60674 2/20 0.68
BLK P51451 2/20 0.68
BMX P51813 2/20 0.68
JAK3 P52333 2/20 0.68
BRD4 O60885 4/20 0.59
MAP3K7 O43318 3/20 0.57
MAP2K1 Q02750 3/20 0.57
FLT3 P36888 2/20 0.56
MAPK1 P28482 1/20 0.56
ALK Q9UM73 2/20 0.55
NUAK1 O60285 2/20 0.54
NUAK2 Q9H093 2/20 0.54
PLK4 O00444 1/20 0.54
GAK O14976 1/20 0.54
PTK2 Q05397 1/20 0.54
BTK Q06187 1/20 0.54
ITK Q08881 1/20 0.54
ERBB4 Q15303 1/20 0.54

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
SCHEMBL29351880 0.81 EGFR (1.00) CTSCEGFRJAK2BLKBMX
SCHEMBL93510 0.81 EGFR (1.00) CTSCEGFRJAK2BLKBMX
SCHEMBL30854720 0.81 EGFR (1.00) CTSCEGFRJAK2BLKBMX
SCHEMBL93511 0.80 EGFR (0.69) CTSCEGFRJAK2BLKBMX
SCHEMBL1706135 0.80 EGFR (0.72) CTSCEGFRJAK2BLKBMX
SCHEMBL19970912 0.78 EGFR (0.68) CTSCEGFRJAK2BLKBMX
SCHEMBL1706620 0.78 EGFR (0.74) CTSCEGFRJAK2BLKBMX
SCHEMBL10127853 0.77 EGFR (0.81) CTSCEGFRJAK2BLKBMX
SCHEMBL1707115 0.75 EGFR (0.83) CTSCEGFRJAK2BLKBMX
SCHEMBL17526075 0.74 BRD4 (1.00) CTSCBRD4ALK

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 6 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-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-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
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 CTSC 1415/4885EGFR 1/4885JAK2 14/4885
US-20190040065-A1 EGFR Inhibitors and Methods of Treating Disorders EGFR, ERBB2, ERBB4 CTSC 1415/4885EGFR 1/4885JAK2 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.