SCHEMBL17766059

SCHEMBL17766059

COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2C(=O)C(=O)O)n1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 12/20 0.72
▸ EGFR P00533 4/20 0.72
▸ PLK1 P53350 3/20 0.71
▸ PTK2 Q05397 1/20 0.68
▸ MAPK3 P27361 1/20 0.60
▸ AURKA O14965 1/20 0.60
▸ INSR P06213 1/20 0.60
▸ IGF1R P08069 1/20 0.60
▸ ROS1 P08922 1/20 0.60
▸ EML4 Q9HC35 1/20 0.60

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
SCHEMBL16385275 0.93 ALK (0.82) ALKEGFRPLK1PTK2MAPK3
SCHEMBL16371316 0.90 ALK (0.87) ALKEGFRPLK1PTK2AURKA
SCHEMBL16372264 0.90 PTK2 (0.72) ALKEGFRPLK1PTK2MAPK3
SCHEMBL19831500 0.85 PTK2 (0.80) ALKEGFRPLK1PTK2MAPK3
SCHEMBL16371266 0.84 ALK (0.87) ALKEGFRPLK1PTK2AURKA
SCHEMBL26160701 0.84 PTK2 (0.74) ALKEGFRPTK2MAPK3
SCHEMBL16371354 0.84 ALK (0.81) ALKEGFRPLK1PTK2AURKA
SCHEMBL16371604 0.84 ALK (0.86) ALKEGFRPLK1PTK2AURKA
SCHEMBL16371096 0.84 ALK (0.74) ALKEGFRPTK2MAPK3INSR
SCHEMBL16371803 0.84 ALK (1.00) ALKEGFRPLK1PTK2AURKA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2016-05-26 — — US claimed
US-10059688-B2 Protein tyrosine kinase modulators and methods of use BETTA PHARMACEUTICALS CO., LTD. (CN) 2018-08-28 — — US disclosed
US-20180009782-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD. (CN) 2018-01-11 — — US disclosed
US-20180009782-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD. (CN) 2018-01-11 — — US disclosed
US-9783524-B2 Protein tyrosine kinase modulators and methods of use BETTA PHARMACEUTICALS CO., LTD. (CN) 2017-10-10 — — US disclosed
US-9783524-B2 Protein tyrosine kinase modulators and methods of use BETTA PHARMACEUTICALS CO., LTD. (CN) 2017-10-10 — — US disclosed
US-9783524-B2 Protein tyrosine kinase modulators and methods of use BETTA PHARMACEUTICALS CO., LTD. (CN) 2017-10-10 — — US disclosed
US-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2016-05-26 — — US disclosed
US-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2016-05-26 — — US disclosed
US-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2016-05-26 — — US 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-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE ALK, EGFR, ERBB2 ALK 1/4885EGFR 2/4885PLK1 368/4885
US-10059688-B2 Protein tyrosine kinase modulators and methods of use ALK, EGFR, ERBB2 ALK 1/4885EGFR 2/4885PLK1 368/4885
US-20180009782-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE ALK, EGFR, ERBB2 ALK 1/4885EGFR 2/4885PLK1 368/4885

“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.

Send feedback