SCHEMBL26402087

SCHEMBL26402087

CCc1cc(CNc2ncc(C#N)c(Nc3ccc4nccnc4c3N(C)SC)n2)c(OC)cc1C(=O)N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.46
▸ PLK1 P53350 3/20 0.44
▸ INSR P06213 3/20 0.41
▸ IGF1R P08069 3/20 0.41
▸ ALK Q9UM73 3/20 0.41
▸ LRRK2 Q5S007 2/20 0.41
▸ PKMYT1 Q99640 2/20 0.40
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL26401974 0.91 EGFR (0.56) EGFRLRRK2
SCHEMBL26402194 0.83 EGFR (0.55) EGFRLRRK2
SCHEMBL26398751 0.80 EGFR (0.58) EGFRPLK1INSRIGF1RALK
SCHEMBL26389545 0.79 EGFR (0.51) EGFRPLK1INSRIGF1RALK
SCHEMBL26379973 0.78 EGFR (0.55) EGFRINSRIGF1RALKLRRK2
SCHEMBL26389509 0.78 EGFR (0.54) EGFRPLK1INSRIGF1RALK
SCHEMBL26398800 0.78 EGFR (0.56) EGFRPLK1INSRIGF1RALK
SCHEMBL26398596 0.77 ALK (0.47) EGFRPLK1INSRIGF1RALK
SCHEMBL26383829 0.77 LRRK2 (0.59) EGFRLRRK2
SCHEMBL25144683 0.77 EGFR (0.67) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 — — US disclosed
US-20170182042-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE SIGNAL PHARM LLC (US) 2017-06-29 — — 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 (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-20170182042-A1 PHARMACEUTICAL COMPOSITIONS OF 7-(6-(2-HYDROXYPROPAN-2-YL)PYRIDIN-3-YL)-1-((TRANS)-4-METHOXYCYCLOHEXYL)-3,4-DIHYDROPYRAZINO [2,3-B]PYRAZIN-2(1H)-ONE, A SOLID FORM THEREOF AND METHODS OF THEIR USE CYP11B2, CYP27A1, CYP11B1 EGFR 4290/4885PLK1 2080/4885INSR 668/4885
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 EGFR 1/4885PLK1 267/4885INSR 283/4885

“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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