SCHEMBL1488452

SCHEMBL1488452

CC(C)(C)OC(=O)N1CCCC[C@H]1C1(O)CN(C(=O)c2ccncc2Nc2ccc(I)cc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.45
▸ MAP2K2 P36507 16/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ ACTR3 P61158 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PRKCZ Q05513 1/20 0.41
▸ IARS2 Q9NSE4 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.36

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
SCHEMBL29413562 1.00 MAP2K1 (0.45) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL30220946 1.00 MAP2K1 (0.45) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL3119669 0.91 MAP2K1 (0.48) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL4578135 0.91 MAP2K1 (0.48) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL1488805 0.85 MAP2K1 (0.44) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL30220972 0.85 MAP2K1 (0.44) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL1488669 0.85 MAP2K1 (0.64) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL29413600 0.85 MAP2K1 (0.64) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL29413493 0.85 MAP2K1 (0.64) MAP2K1MAP2K2CHRM2CHRM1BRAF
SCHEMBL1488220 0.85 MAP2K1 (0.64) MAP2K1MAP2K2CHRM2CHRM1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 — — CN disclosed
US-20110263558-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases EXELIXIS, INC. (US) 2011-10-27 — — US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 — — US disclosed
EP-1934174-B1 AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES EXELIXIS INC (US) 2011-04-06 — — EP disclosed
US-7915250-B2 Azetidines as MEK inhibitors for the treatment of proliferative diseases EXELIXIS, INC. (US) 2011-03-29 — — US disclosed
US-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine EXELIXIS, INC. (US) 2010-09-30 — — US disclosed
CN-101605540-A Methods of using MEK inhibitors EXELIXIS INC (US) 2009-12-16 — — CN 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-20100249096-A1 anticarcinogenic agent; 1-({4-[(2-fluoro-4-iodophenyl)amino]-3-thienyl}carbonyl)azetidin-3-amine NRAS, BRAF, KRAS MAP2K1 84/4885MAP2K2 89/4885CHRM2 4074/4885
US-20110263558-A1 Azetidines as MEK Inhibitors for the Treatment of Proliferative Diseases NRAS, BRAF, KRAS MAP2K1 72/4885MAP2K2 65/4885CHRM2 4344/4885

“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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