SCHEMBL3529174

SCHEMBL3529174

O=C(O)c1cc(N2CCOCC2)nnc1Nc1ccc(I)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.48
▸ MAP2K1 Q02750 8/20 0.46
▸ MAP2K2 P36507 4/20 0.46
▸ PKM P14618 1/20 0.42
▸ PIK3CA P42336 2/20 0.40
▸ MAPK9 P45984 2/20 0.40
▸ MAPK10 P53779 2/20 0.40
▸ PIK3CG P48736 2/20 0.39
▸ AKT1 P31749 2/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3C2B O00750 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ KMO O15229 1/20 0.39
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL3523816 0.76 MAP2K1 (0.54) IDO1MAP2K1MAP2K2
SCHEMBL3523857 0.73 MAP2K1 (0.51) IDO1MAP2K1MAP2K2
SCHEMBL13119546 0.71 BCL3 (0.49) —
SCHEMBL23851383 0.69 MAP2K1 (0.59) IDO1MAP2K1MAP2K2
SCHEMBL31135614 0.69 MAP2K1 (0.59) IDO1MAP2K1MAP2K2
SCHEMBL17478643 0.69 SMN1; SMN2 (0.60) PKM
SCHEMBL1488894 0.69 MAP2K1 (0.65) IDO1MAP2K1MAP2K2
SCHEMBL29413443 0.69 MAP2K1 (0.65) IDO1MAP2K1MAP2K2
SCHEMBL25650115 0.69 STING1 (0.67) —
SCHEMBL3527300 0.69 MAP2K1 (0.60) IDO1MAP2K1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 — — US claimed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US claimed
WO-2007123939-A2 NOVEL ARYLAMINO N-HETERARYLS AS MEK INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-11-01 — — WO claimed
US-8802703-B2 Arylamino N-heteraryl compounds as MEK inhibitors MERCK SERONO S.A. (CH) 2014-08-12 — — US disclosed
US-8802703-B2 Arylamino N-heteraryl compounds as MEK inhibitors MERCK SERONO S.A. (CH) 2014-08-12 — — US disclosed
US-8802703-B2 Arylamino N-heteraryl compounds as MEK inhibitors MERCK SERONO S.A. (CH) 2014-08-12 — — US disclosed
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 — — US disclosed
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 — — US disclosed
US-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS MERCK SERONO S.A. (CH) 2010-10-07 — — US disclosed
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 — — US disclosed
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 — — US disclosed
US-7772233-B2 Arylamino N-heteroaryl compounds as MEK inhibitors Merck Serono, S.A. (CH) 2010-08-10 — — US disclosed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors MERCK SERONO SA (CH) 2007-12-13 — — US disclosed
WO-2007123939-A2 NOVEL ARYLAMINO N-HETERARYLS AS MEK INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-11-01 — — 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-20100256149-A1 NOVEL ARYLAMINO N-HETERARYL COMPOUNDS AS MEK INHIBITORS NRAS, MAP3K19, MAP3K20 IDO1 1079/4885MAP2K1 50/4885MAP2K2 42/4885
US-20070287709-A1 Novel arylamino N-heteraryls as MEK inhibitors NRAS, MAP3K19, MAP3K1 IDO1 985/4885MAP2K1 48/4885MAP2K2 39/4885

“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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