SCHEMBL17059253

SCHEMBL17059253

FC(F)n1cc(-c2nc(Cl)ncc2Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ CCNB2 O95067 4/20 0.33
▸ CCNE2 O96020 4/20 0.33
▸ CDK1 P06493 4/20 0.33
▸ CCNB1 P14635 4/20 0.33
▸ CCNE1 P24864 4/20 0.33
▸ CDK2 P24941 4/20 0.33
▸ CDK5 Q00535 4/20 0.33
▸ CDK5R1 Q15078 4/20 0.33
▸ CCNB3 Q8WWL7 4/20 0.33
▸ CCNT1 O60563 3/20 0.33
▸ CDK9 P50750 3/20 0.33
▸ BTK Q06187 1/20 0.33
▸ RPS6KA5 O75582 2/20 0.32
▸ PIK3CD O00329 3/20 0.32
▸ KIT P10721 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL30961334 0.78 CCNC (0.37) CCNCCDK8PIK3CDTTKPIK3CA
SCHEMBL30808813 0.78 AURKA (0.38) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL17059188 0.76 CCNB2 (0.51) EGFRCCNB2CCNE2CDK1CCNB1
SCHEMBL19555915 0.74 MKNK1 (0.37) EGFRCCNCCDK8PIK3CDTTK
SCHEMBL30961387 0.73 PIK3CD (0.40) CCNCCDK8PIK3CDTTKPIK3CA
SCHEMBL22852640 0.71 JAK2 (0.47) —
SCHEMBL31333791 0.71 CDK1 (0.47) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL29425716 0.71 JAK2 (0.47) —
SCHEMBL31333543 0.71 GRM4 (0.45) CCNB2CCNE2CDK1CCNB1CCNE1
SCHEMBL30919697 0.70 GRM4 (0.51) —

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-10435400-B2 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2019-10-08 — — US disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 — — US disclosed
US-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-12 — — US disclosed
EP-3112364-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2017-01-04 — — EP disclosed
WO-2015127872-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM 上海海雁医药科技有限公司 2015-09-03 — — 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-20170008889-A1 2,4-DISUBSTITUTED PHENYLENE-1,5-DIAMINE DERIVATIVES AND APPLICATIONS THEREOF, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICALLY ACCEPTABLE COMPOSITIONS PREPARED THEREFROM ERBB2, EGFR, ERBB3 EGFR 2/4885CCNC 3215/4885CDK8 767/4885
US-10435400-B2 2,4-disubstituted phenylene-1,5-diamine derivatives and applications thereof, and pharmaceutical compositions and pharmaceutically acceptable compositions prepared therefrom ERBB2, EGFR, ERBB3 EGFR 2/4885CCNC 3215/4885CDK8 767/4885

“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.

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