SCHEMBL17197329

SCHEMBL17197329

COc1cc(C2CCN(CCF)CC2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
ABL1 P00519 6/20 0.46
PTK6 Q13882 5/20 0.46
SRC P12931 3/20 0.45
FYN P06241 1/20 0.45
PDE4B Q07343 1/20 0.43
CAMK2D Q13557 1/20 0.42
QDPR P09417 2/20 0.42
DRD2 P14416 2/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CHEK1 O14757 1/20 0.41
IGF1R P08069 1/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41
CCR5 P51681 1/20 0.41
ALK Q9UM73 1/20 0.40

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
SCHEMBL1781447 0.87 QDPR (0.56) EGFRABL1PTK6SRCPDE4B
SCHEMBL17197274 0.86 EGFR (0.52) EGFRABL1PTK6SRCFYN
SCHEMBL18764021 0.86 EGFR (0.49) EGFRPDE4BCAMK2DQDPRCHEK1
SCHEMBL3315978 0.83 PDE4B (0.59) PDE4BQDPRALK
SCHEMBL12479659 0.83 PDE4B (0.51) PDE4BQDPRALK
SCHEMBL27933804 0.82 PDE4B (0.45) EGFRABL1PTK6SRCFYN
SCHEMBL17197372 0.81 MEN1 (0.53) EGFRPDE4BQDPR
SCHEMBL17197365 0.81 PDE4B (0.48) EGFRABL1PTK6SRCFYN
SCHEMBL18778503 0.80 EGFR (0.56) EGFRCAMK2DCHEK1ALK
SCHEMBL1784746 0.79 ALK (0.44) EGFRABL1PDE4BCAMK2DQDPR

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-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US 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 1/4885ABL1 3/4885PTK6 33/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 EGFR 1/4885ABL1 3/4885PTK6 33/4885

“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.