SCHEMBL1418851

SCHEMBL1418851

O=C(Nc1ccc(I)cc1F)NC1CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ POLB P06746 2/20 0.63
▸ EPHX2 P34913 6/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL16866144 0.84 NPC1 (0.86) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL12810855 0.80 NPC1 (0.42) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL13825680 0.80 NPC1 (0.42) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL23573491 0.79 NPC1 (0.77) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL23573490 0.79 NPC1 (0.77) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL2750640 0.79 RAB9A (0.97) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL3332514 0.78 KMT2A (0.68) POLBKMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL14257414 0.78 NPC1 (0.41) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL12810857 0.78 NPC1 (0.41) RAB9ANPC1POLBEPHX2KMT2A
SCHEMBL27267057 0.78 RAB9A (1.00) RAB9ANPC1POLBEPHX2KMT2A

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336884-B Method for synthesizing trametinib key intermediate 安庆奇创药业有限公司 2021-02-05 — — CN claimed
US-20220380362-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2022-12-01 — — US disclosed
CN-109336884-B Method for synthesizing trametinib key intermediate 安庆奇创药业有限公司 2021-02-05 — — CN disclosed
CN-109336884-B Method for synthesizing trametinib key intermediate 安庆奇创药业有限公司 2021-02-05 — — CN disclosed
WO-2020161654-A1 A PROCESS FOR THE PREPARATION OF TRAMETINIB ACETIC ACID SOLVATE AUROBINDO PHARMA LIMITED (IN) 2020-08-13 — — WO disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 — — US disclosed
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2020-04-09 — — US disclosed
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2018-09-27 — — US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 — — US disclosed
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2017-02-02 — — US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 — — US disclosed
US-7378423-B2 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2008-05-27 — — US disclosed
EP-1894932-A1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer Japan Tobacco, Inc. (JP) 2008-03-05 — — EP disclosed
EP-1894932-A1 5-amino-2,4,7-trioxo-3,4,7,8-tetrahydro-2H-pyrido[2,3-d]pyrimidine derivatives and related compounds for the treatment of cancer Japan Tobacco, Inc. (JP) 2008-03-05 — — EP disclosed
EP-1761528-B1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC (JP) 2008-01-09 — — EP disclosed
EP-1761528-B1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC (JP) 2008-01-09 — — EP disclosed
CN-101006086-A 5-amino-2, 4, 7-trioxo-3, 4,7, 8-tetrahydro-2H-pyrido [2, 3-d ] pyrimidine derivatives and related compounds for the treatment of cancer JAPAN TOBACCO INC (JP) 2007-07-25 — — CN disclosed
EP-1761528-A1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER Japan Tobacco, Inc. (JP) 2007-03-14 — — EP disclosed
US-20060014768-A1 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction JAPAN TOBACCO INC. (JP) 2006-01-19 — — US disclosed
WO-2005121142-A1 5-AMINO-2,4,7-TRIOXO-3,4,7,8-TETRAHYDRO-2H-PYRIDO’2,3-D! PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF CANCER JAPAN TOBACCO INC. (JP) 2005-12-22 — — 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 (5 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-20220380362-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD RAB9A 4166/4885NPC1 3190/4885POLB 432/4885
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD RAB9A 4166/4885NPC1 3190/4885POLB 432/4885
US-20170029418-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD RAB9A 4166/4885NPC1 3190/4885POLB 432/4885
US-20060014768-A1 Antiproliferative, anticancer, antitumor agents; rheumatism; N-{3-[3-cyclopropyl-5-(2-fluoro-4-iodo-phenylamino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydro-2H-pyrido[4,3-d]pyrimidin-1-yl]-phenyl}-acetamide; a p15, and/or a protein inducing action, and/or an MEK inhibitory action; side effect reduction CDKN1A, CDK2, CDC25A RAB9A 2902/4885NPC1 4705/4885POLB 1267/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD RAB9A 4166/4885NPC1 3190/4885POLB 432/4885

“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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