SCHEMBL17002249

SCHEMBL17002249

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 1.00
JAK3 P52333 2/20 0.78
BTK Q06187 2/20 0.78
ERBB3 P21860 2/20 0.78
GAK O14976 1/20 0.78
FES P07332 1/20 0.78
FER P16591 1/20 0.78
TEC P42680 1/20 0.78
CLK1 P49759 1/20 0.78
PTK2 Q05397 1/20 0.78
TNK1 Q13470 1/20 0.78
ALK Q9UM73 1/20 0.78
JAK2 O60674 1/20 0.67
ERBB2 P04626 1/20 0.65
ERBB4 Q15303 1/20 0.65

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
SCHEMBL17002254 0.92 EGFR (0.85) EGFRJAK3BTKERBB3GAK
SCHEMBL17002255 0.91 EGFR (0.85) EGFRJAK3BTKERBB3GAK
SCHEMBL20431056 0.91 EGFR (0.83) EGFRJAK3BTKERBB3GAK
SCHEMBL17002232 0.90 EGFR (0.83) EGFRJAK3BTKERBB3GAK
SCHEMBL17002257 0.90 EGFR (0.83) EGFRJAK3BTKERBB3GAK
SCHEMBL17002191 0.90 EGFR (1.00) EGFRJAK3BTKERBB3GAK
SCHEMBL19194168 0.89 EGFR (0.83) EGFRJAK3BTKERBB3GAK
SCHEMBL18371442 0.88 EGFR (0.79) EGFRBTK
SCHEMBL24900776 0.88 EGFR (0.94) EGFRJAK3BTKERBB3GAK
Rociletinib SCHEMBL4177736 0.88 EGFR (1.00) EGFRJAK3BTKERBB3GAK

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-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 (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 1/4885JAK3 65/4885BTK 233/4885
US-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 65/4885BTK 233/4885

“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.