SCHEMBL625996

SCHEMBL625996

CNC(=O)Nc1ccc(I)cc1F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
RECQL P46063 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAP2K1 Q02750 8/20 0.48
MAP2K2 P36507 5/20 0.48
HTT P42858 3/20 0.45
PKM P14618 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 1/20 0.42

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
SCHEMBL2650449 0.82 HDAC1 (0.58) SMN1; SMN2ALDH1A1MAP2K1MAP2K2HTT
SCHEMBL11426554 0.82 RAB9A (0.63) SMN1; SMN2RECQLALDH1A1HTTPKM
SCHEMBL11436787 0.81 SMN1; SMN2 (0.50) SMN1; SMN2RECQLALDH1A1HTTPKM
SCHEMBL31485290 0.80 MAP2K1 (0.53) SMN1; SMN2ALDH1A1MAP2K1MAP2K2HTT
SCHEMBL6356610 0.80 POLB (0.47) RECQLMAP2K1MAP2K2HTTPKM
SCHEMBL13825681 0.80 MAP2K1 (0.43) SMN1; SMN2ALDH1A1MAP2K1MAP2K2HTT
SCHEMBL14257536 0.80 MAP2K1 (0.43) ALDH1A1MAP2K1MAP2K2HTT
SCHEMBL11420542 0.79 ALDH1A1 (0.48) SMN1; SMN2RECQLALDH1A1MAP2K1HTT
SCHEMBL22312378 0.79 MAP2K1 (0.42) MAP2K1MAP2K2HTT
SCHEMBL11435364 0.79 KMT2A (0.58) SMN1; SMN2RECQLALDH1A1HTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109320513-B Method for synthesizing trametinib 安庆奇创药业有限公司 2021-03-16 CN claimed
WO-2023226176-A1 THIOAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF 云白药征武科技(上海)有限公司 2023-11-30 WO disclosed
US-20220380362-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2022-12-01 US disclosed
CN-109320513-B Method for synthesizing trametinib 安庆奇创药业有限公司 2021-03-16 CN disclosed
CN-109320513-B Method for synthesizing trametinib 安庆奇创药业有限公司 2021-03-16 CN 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
EP-2603079-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-9617261-B2 Substituted pyridinone compounds as MEK inhibitors CMG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2008-12-18 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
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-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 SMN1; SMN2 1532/4885RECQL 877/4885ALDH1A1 709/4885
US-20180273531-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SMN1; SMN2 1532/4885RECQL 877/4885ALDH1A1 709/4885
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 SMN1; SMN2 1955/4885RECQL 2561/4885ALDH1A1 1645/4885
US-20080312228-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SMN1; SMN2 1532/4885RECQL 877/4885ALDH1A1 709/4885
US-20200109139-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD SMN1; SMN2 1532/4885RECQL 877/4885ALDH1A1 709/4885

“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.