SCHEMBL6070549

SCHEMBL6070549

C#Cc1cccc(Nc2ncc3cc(OCCOC)c(OCCOC)cc3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.62
▸ ERBB2 P04626 5/20 0.62
▸ GAK O14976 5/20 0.62
▸ SYK P43405 2/20 0.62
▸ BRAF P15056 2/20 0.62
▸ ILK Q13418 2/20 0.62
▸ PLK4 O00444 1/20 0.62
▸ CIT O14578 1/20 0.62
▸ AURKA O14965 1/20 0.62
▸ EPHB6 O15197 1/20 0.62
▸ SLC22A1 O15245 1/20 0.62
▸ DAPK3 O43293 1/20 0.62
▸ RIPK2 O43353 1/20 0.62
▸ BUB1 O43683 1/20 0.62
▸ KDM1A O60341 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ RPS6KA4 O75676 1/20 0.62
▸ STK17B O94768 1/20 0.62
▸ STK10 O94804 1/20 0.62
▸ SLCO2B1 O94956 1/20 0.62

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
SCHEMBL12813040 0.90 EGFR (0.50) EGFRERBB2GAKSYKBRAF
SCHEMBL27669463 0.79 EGFR (0.63) EGFRERBB2GAKSYKBRAF
SCHEMBL13815419 0.78 EGFR (0.67) EGFRERBB2GAKSYKBRAF
SCHEMBL23196396 0.77 EGFR (0.72) EGFRERBB2GAKSYKBRAF
Erlotinib SCHEMBL3667407 0.77 EGFR (1.00) EGFRERBB2GAKSYKBRAF
Erlotinib SCHEMBL29351329 0.77 EGFR (1.00) EGFRERBB2GAKSYKBRAF
Erlotinib SCHEMBL8413 0.77 EGFR (1.00) EGFRERBB2GAKSYKBRAF
SCHEMBL29749690 0.77 EGFR (1.00) EGFRERBB2GAKSYKBRAF
Erlotinib SCHEMBL30362833 0.77 EGFR (1.00) EGFRERBB2GAKSYKBRAF
SCHEMBL13824816 0.77 EGFR (1.00) EGFRERBB2GAKSYKBRAF

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-20230192876-A1 DOSING REGIMEN OF ANTI-CD27 ANTIBODIES FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2023-06-22 — — US disclosed
US-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator MERCK & CO., INC. 2006-10-19 — — 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-20060234984-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 4-(2,5-Difluorophenyl)-N-[(3S,4S)-3-fluoropiperidin-4-yl]-2-hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1N-pyrrole-1-carboxamide, and a carrier; antiproliferative and -carcinogenic agents; side effects reduction; used with an estrogen receptor modulator KIF5B, KIF2C, KIF5C EGFR 1696/4885ERBB2 1046/4885GAK 390/4885

“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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