SCHEMBL17797487

SCHEMBL17797487

C=CC(=O)N1CCC[C@@H](Nc2nc(Cl)ncc2F)C1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.65
BTK Q06187 4/20 0.61
ITK Q08881 4/20 0.61
JAK3 P52333 6/20 0.59
BMX P51813 1/20 0.58
KMT2A Q03164 1/20 0.57
JAK1 P23458 1/20 0.53

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
SCHEMBL17797488 1.00 EGFR (0.65) EGFRBTKITKJAK3BMX
SCHEMBL17813222 0.89 KMT2A (0.57) EGFRBTKITKJAK3BMX
SCHEMBL3433250 0.88 KMT2A (0.61) EGFRBTKITKJAK3BMX
SCHEMBL20774201 0.88 KMT2A (0.61) EGFRBTKITKJAK3BMX
SCHEMBL14675141 0.88 KMT2A (0.61) EGFRBTKITKJAK3BMX
SCHEMBL17813212 0.87 EGFR (0.65) EGFRBTKITKJAK3BMX
SCHEMBL30366577 0.86 EGFR (0.67) EGFRBTKITKJAK3BMX
SCHEMBL17797645 0.86 BTK (0.58) EGFRBTKITKJAK3JAK1
SCHEMBL17797646 0.86 BTK (0.58) EGFRBTKITKJAK3JAK1
SCHEMBL17813360 0.85 EGFR (0.62) EGFRBTKITKJAK3BMX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF CHEN ZHIHONG (US) 2020-06-18 US disclosed
WO-2019046163-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF ZHIHONG CHEN (US) 2019-03-07 WO disclosed
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 WO disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 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-20200190068-A1 SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS AND THERAPEUTIC METHODS THEREOF BTK, PTK2, LCK EGFR 394/4885BTK 1/4885ITK 176/4885
US-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885BTK 594/4885ITK 2697/4885

“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.