SCHEMBL19089412

SCHEMBL19089412

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C(F)(F)F)c(-n2ccc3c(OC)cccc32)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.49
KCNH2 Q12809 2/20 0.40
IGF1R P08069 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
SCHEMBL29464132 0.92 EGFR (0.49) EGFRKCNH2IGF1R
SCHEMBL19089469 0.85 EGFR (0.54) EGFRKCNH2
SCHEMBL19089556 0.83 EGFR (0.67) EGFRKCNH2IGF1R
SCHEMBL29464116 0.81 EGFR (0.49) EGFRKCNH2IGF1R
SCHEMBL19089608 0.79 EGFR (0.50) EGFRKCNH2
SCHEMBL17682942 0.79 EGFR (0.46) EGFRKCNH2IGF1R
SCHEMBL19254854 0.79 EGFR (0.45) EGFR
SCHEMBL29464108 0.79 EGFR (0.48) EGFRKCNH2IGF1R
SCHEMBL19320669 0.79 EGFR (0.55) EGFRKCNH2IGF1R
SCHEMBL19089606 0.79 EGFR (0.51) EGFRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 US disclosed
WO-2017114500-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY 恩瑞生物医药科技(上海)有限公司 2017-07-06 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 EGFR 1/4885KCNH2 2909/4885IGF1R 619/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 EGFR 1/4885KCNH2 2909/4885IGF1R 619/4885

“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.