SCHEMBL16385654

SCHEMBL16385654

C=CC(=O)Nc1cc([N+](=O)[O-])c(OC)cc1N1CCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.50
SIRT6 Q8N6T7 1/20 0.49
ALDH1A1 P00352 1/20 0.48
UCHL3 P15374 1/20 0.48
IGF1R P08069 1/20 0.47
KCNH2 Q12809 1/20 0.47
WDR5 P61964 1/20 0.47

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
SCHEMBL19442326 0.87 EGFR (0.45) EGFRALDH1A1IGF1RKCNH2WDR5
SCHEMBL24726489 0.83 EGFR (0.54) EGFRUCHL3IGF1RKCNH2
SCHEMBL13832430 0.83 SIRT6 (0.49) SIRT6ALDH1A1WDR5
SCHEMBL31348830 0.82 EGFR (0.53) EGFRUCHL3IGF1RKCNH2
SCHEMBL16385655 0.82 EGFR (0.53) EGFRUCHL3IGF1RKCNH2
SCHEMBL21816616 0.81 EGFR (0.59) EGFRUCHL3IGF1RKCNH2
SCHEMBL28572522 0.80 ALDH1A1 (0.50) ALDH1A1
SCHEMBL21816701 0.80 EGFR (0.54) EGFRUCHL3IGF1RKCNH2
SCHEMBL23983216 0.80 EGFR (0.55) EGFRIGF1RKCNH2
SCHEMBL19221921 0.78 EGFR (0.53) EGFRIGF1RKCNH2

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-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-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
WO-2015003658-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE BETTA PHARMACEUTICALS CO., LTD (CN) 2015-01-15 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-20160145237-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE ALK, EGFR, ERBB2 EGFR 2/4885SIRT6 3313/4885ALDH1A1 2546/4885
US-20180009782-A1 PROTEIN TYROSINE KINASE MODULATORS AND METHODS OF USE ALK, EGFR, ERBB2 EGFR 2/4885SIRT6 3313/4885ALDH1A1 2546/4885

“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.