SCHEMBL17002256

SCHEMBL17002256

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2C(F)(F)F)c1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.88
JAK3 P52333 2/20 0.86
GAK O14976 1/20 0.86
FES P07332 1/20 0.86
FER P16591 1/20 0.86
ERBB3 P21860 1/20 0.86
TEC P42680 1/20 0.86
CLK1 P49759 1/20 0.86
PTK2 Q05397 1/20 0.86
BTK Q06187 1/20 0.86
TNK1 Q13470 1/20 0.86
ALK Q9UM73 1/20 0.86

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
SCHEMBL18970175 0.94 EGFR (0.86) EGFRJAK3GAKFESFER
SCHEMBL2730294 0.93 EGFR (1.00) EGFRJAK3GAKFESFER
SCHEMBL4165885 0.93 EGFR (1.00) EGFRJAK3GAKFESFER
Rociletinib SCHEMBL29350136 0.93 EGFR (1.00) EGFRJAK3GAKFESFER
Rociletinib SCHEMBL29448192 0.93 EGFR (1.00) EGFRJAK3GAKFESFER
Rociletinib SCHEMBL4177736 0.93 EGFR (1.00) EGFRJAK3GAKFESFER
SCHEMBL16366037 0.92 EGFR (1.00) EGFRJAK3GAKFESFER
Rociletinib SCHEMBL30101824 0.92 EGFR (0.99) EGFRJAK3GAKFESFER
SCHEMBL4171719 0.92 EGFR (1.00) EGFRJAK3GAKFESFER
SCHEMBL17002258 0.92 EGFR (0.74) EGFRJAK3GAKFESFER

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-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10167264-B2 Substituted pyrimidines useful as EGFR-T790M kinase inhibitors JIANGSU MEDOLUTION LTD (CN) 2019-01-01 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 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 (4 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 EGFR 1/4885JAK3 24/4885GAK 372/4885
US-10167264-B2 Substituted pyrimidines useful as EGFR-T790M kinase inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 65/4885GAK 123/4885
US-20170008856-A1 SUBSTITUTED PYRIMIDINES USEFUL AS EGFR-T790M KINASE INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885JAK3 65/4885GAK 123/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 EGFR 1/4885JAK3 24/4885GAK 372/4885

“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.