SCHEMBL17557965

SCHEMBL17557965

COC(=O)CCCC(=O)N1CCN(CCCOc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.74
▸ KDR P35968 3/20 0.73
▸ ERBB2 P04626 3/20 0.71
▸ BRAF P15056 2/20 0.71
▸ CIT O14578 1/20 0.71
▸ GAK O14976 1/20 0.71
▸ EPHB6 O15197 1/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ DAPK3 O43293 1/20 0.71
▸ RIPK2 O43353 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ RPS6KA4 O75676 1/20 0.71
▸ STK17B O94768 1/20 0.71
▸ STK10 O94804 1/20 0.71
▸ PRKD3 O94806 1/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ MAP4K4 O95819 1/20 0.71
▸ CHEK2 O96017 1/20 0.71
▸ ABL1 P00519 1/20 0.71
▸ LCK P06239 1/20 0.71

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
SCHEMBL17557984 0.99 EGFR (0.74) EGFRKDRERBB2BRAFCIT
SCHEMBL17558019 0.98 EGFR (0.73) EGFRKDRERBB2BRAFCIT
SCHEMBL17557988 0.98 EGFR (0.73) EGFRKDRERBB2BRAFCIT
SCHEMBL17557983 0.98 EGFR (0.73) EGFRKDRERBB2BRAFCIT
SCHEMBL17557967 0.96 EGFR (0.75) EGFRKDRERBB2BRAFCIT
SCHEMBL30879099 0.94 EGFR (0.75) EGFRKDRERBB2BRAFCIT
SCHEMBL12906991 0.92 EGFR (0.75) EGFRKDRERBB2BRAFCIT
SCHEMBL20191353 0.92 EGFR (0.75) EGFRKDRERBB2BRAFCIT
SCHEMBL17557997 0.91 EGFR (0.71) EGFRKDRERBB2BRAFCIT
SCHEMBL17557989 0.91 EGFR (0.71) EGFRKDRERBB2BRAFCIT

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-9512086-B2 Compound for promoting apoptosis of cancer cells and a pharmaceutical composition containing the same and uses thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-12-06 — — US disclosed
US-9512086-B2 Compound for promoting apoptosis of cancer cells and a pharmaceutical composition containing the same and uses thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-12-06 — — US disclosed
US-9512086-B2 Compound for promoting apoptosis of cancer cells and a pharmaceutical composition containing the same and uses thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-12-06 — — US disclosed
US-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-03-10 — — US disclosed
US-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-03-10 — — US disclosed
US-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2016-03-10 — — 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 (1 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-20160068495-A1 COMPOUND FOR PROMOTING APOPTOSIS OF CANCER CELLS AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AND USES THEREOF BAX, BCL2, CASP3 EGFR 240/4885KDR 2544/4885ERBB2 2351/4885

“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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