Sugi Predict

Sugi Predict / Compounds / SCHEMBL19089425

SCHEMBL19089425

SCHEMBL19089425

COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1cc(Nc2ccc(OC(C)(C)C)c(Cl)c2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ EGFR P00533 9/20 0.40
▸ TNNI3K Q59H18 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ERBB3 P21860 3/20 0.36
▸ ERBB2 P04626 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL35210348 1.00 CDK4 (0.40) CDK4CDK2EGFRTNNI3KALDH1A1
SCHEMBL19089690 0.89 CDK4 (0.42) CDK4CDK2EGFRTNNI3KALDH1A1
SCHEMBL19089633 0.86 EGFR (0.39) CDK4CDK2EGFRTNNI3KERBB3
SCHEMBL35210288 0.86 EGFR (0.40) CDK4CDK2EGFRTNNI3KALDH1A1
SCHEMBL19089688 0.86 EGFR (0.40) CDK4CDK2EGFRTNNI3KALDH1A1
SCHEMBL19089423 0.83 EGFR (0.44) CDK4CDK2EGFRTNNI3KALDH1A1
SCHEMBL19089604 0.82 EGFR (0.49) CDK4CDK2EGFRTNNI3KERBB3
SCHEMBL19089564 0.81 EGFR (0.59) EGFRERBB2
SCHEMBL22819311 0.77 CDK4 (0.42) CDK4CDK2EGFRALDH1A1L3MBTL1
SCHEMBL19089532 0.77 EGFR (0.46) EGFRERBB2

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 5 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-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
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 CDK4 803/4885CDK2 647/4885EGFR 1/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 CDK4 803/4885CDK2 647/4885EGFR 1/4885

“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.