SCHEMBL17197331

SCHEMBL17197331

C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3OC)ncc2C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
GAK O14976 1/20 0.76
FES P07332 1/20 0.76
FER P16591 1/20 0.76
ERBB3 P21860 1/20 0.76
TEC P42680 1/20 0.76
CLK1 P49759 1/20 0.76
JAK3 P52333 1/20 0.76
PTK2 Q05397 1/20 0.76
BTK Q06187 1/20 0.76
TNK1 Q13470 1/20 0.76
ALK Q9UM73 1/20 0.76

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
SCHEMBL4171719 0.94 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL18970175 0.93 EGFR (0.86) EGFRGAKFESFERERBB3
SCHEMBL4170760 0.91 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL18778504 0.91 EGFR (0.83) EGFRGAKFESFERERBB3
SCHEMBL30733360 0.89 EGFR (0.84) EGFRGAKFESFERERBB3
SCHEMBL17002256 0.88 EGFR (0.88) EGFRGAKFESFERERBB3
SCHEMBL2730294 0.87 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL17059607 0.87 EGFR (1.00) EGFRGAKJAK3PTK2BTK
Rociletinib SCHEMBL4177736 0.86 EGFR (1.00) EGFRGAKFESFERERBB3
SCHEMBL4165885 0.86 EGFR (1.00) EGFRGAKFESFERERBB3

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-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
WO-2017097113-A1 AMINOPYRIMIDINE COMPOUNDS FOR INHIBITING ACITIVITY OF PROTEIN TYROSINE KINASE 深圳市塔吉瑞生物医药有限公司 2017-06-15 WO disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 EGFR 1/4885GAK 372/4885FES 232/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 EGFR 1/4885GAK 372/4885FES 232/4885

“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.