SCHEMBL17002191

SCHEMBL17002191

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 1.00
BTK Q06187 4/20 0.66
JAK3 P52333 3/20 0.66
JAK2 O60674 1/20 0.66
ALK Q9UM73 2/20 0.64
WEE1 P30291 1/20 0.64
GAK O14976 1/20 0.64
FES P07332 1/20 0.64
FER P16591 1/20 0.64
ERBB3 P21860 1/20 0.64
TEC P42680 1/20 0.64
CLK1 P49759 1/20 0.64
PTK2 Q05397 1/20 0.64
TNK1 Q13470 1/20 0.64

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
SCHEMBL17002233 0.92 EGFR (0.85) EGFRBTKJAK3ALKGAK
SCHEMBL17002254 0.91 EGFR (0.85) EGFRBTKJAK3JAK2ALK
SCHEMBL17002229 0.90 EGFR (0.83) EGFRBTKJAK3ALKGAK
SCHEMBL17002192 0.90 EGFR (0.83) EGFRBTKJAK3ALKGAK
SCHEMBL17002236 0.90 EGFR (0.82) EGFRBTKJAK3JAK2ALK
SCHEMBL17002249 0.90 EGFR (1.00) EGFRBTKJAK3JAK2ALK
SCHEMBL18371455 0.89 EGFR (0.79) EGFRBTKJAK3ALKWEE1
SCHEMBL16366037 0.88 EGFR (1.00) EGFRBTKJAK3ALKGAK
SCHEMBL18371453 0.86 EGFR (0.76) EGFRBTKJAK3ALKGAK
SCHEMBL28059334 0.84 BTK (0.85) EGFRBTKJAK3JAK2ERBB3

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
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
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 (3 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
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 EGFR 2972/4885BTK 1028/4885JAK3 2548/4885

“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.