SCHEMBL17002254

SCHEMBL17002254

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.85
BTK Q06187 4/20 0.69
JAK3 P52333 3/20 0.69
JAK2 O60674 1/20 0.69
TEC P42680 2/20 0.67
SRC P12931 2/20 0.67
SLK Q9H2G2 1/20 0.67
GAK O14976 1/20 0.67
FES P07332 1/20 0.67
FER P16591 1/20 0.67
ERBB3 P21860 1/20 0.67
CLK1 P49759 1/20 0.67
PTK2 Q05397 1/20 0.67
TNK1 Q13470 1/20 0.67
ALK Q9UM73 1/20 0.67
BRD4 O60885 1/20 0.66

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
SCHEMBL17002249 0.92 EGFR (1.00) EGFRBTKJAK3JAK2TEC
SCHEMBL17002191 0.91 EGFR (1.00) EGFRBTKJAK3JAK2TEC
SCHEMBL17002258 0.91 EGFR (0.74) EGFRBTKJAK3TECGAK
SCHEMBL17002253 0.90 EGFR (0.72) EGFRBTKJAK3TECGAK
SCHEMBL17002251 0.90 EGFR (0.72) EGFRBTKJAK3TECGAK
SCHEMBL17002241 0.90 EGFR (0.70) EGFRBTKJAK3JAK2TEC
SCHEMBL31684784 0.89 EGFR (0.72) EGFRBTKJAK3JAK2TEC
SCHEMBL28980983 0.89 EGFR (0.72) EGFRBTKJAK3JAK2TEC
SCHEMBL31684778 0.88 BTK (0.80) EGFRBTKJAK3JAK2TEC
SCHEMBL31684788 0.88 BRD4 (0.78) EGFRBTKJAK3JAK2TEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167264-B2 Substituted pyrimidines useful as EGFR-T790M kinase inhibitors JIANGSU MEDOLUTION LTD (CN) 2019-01-01 US disclosed
EP-3102571-B1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS JIANGSU MEDOLUTION LTD (CN) 2018-04-04 EP disclosed
US-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS JIANGSU MEDOLUTION LTD (CN) 2017-01-12 US disclosed
WO-2015117547-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS JIANGSU MEDOLUTION LIMITED (CN) 2015-08-13 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-10167264-B2 Substituted pyrimidines useful as EGFR-T790M kinase inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885BTK 233/4885JAK3 65/4885
US-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885BTK 233/4885JAK3 65/4885

“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.