SCHEMBL207031

SCHEMBL207031

CN(C)C(=O)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.50
MPO P05164 5/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NOTUM Q6P988 1/20 0.47
SLC6A4 P31645 2/20 0.47
GPR84 Q9NQS5 1/20 0.46
ATM Q13315 1/20 0.46
HTR2A P28223 1/20 0.46
CAPN1 P07384 1/20 0.46
CAPN2 P17655 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7461024 0.88 KDM4E (0.55) KDM4EKMT2ATSHRMPOALDH1A1
SCHEMBL24243764 0.85 KDM4E (0.55) KDM4EKMT2ATSHRMPOALDH1A1
SCHEMBL30622613 0.85 KDM4E (0.55) KDM4EKMT2ATSHRMPOALDH1A1
SCHEMBL5912516 0.83 KDM4E (0.64) KDM4EKMT2ATSHRMPOALDH1A1
SCHEMBL22864436 0.83 NR4A2 (0.63) KDM4EALDH1A1CDK4CCND1MTNR1A
SCHEMBL784795 0.82 KDM4E (0.81) KDM4EKMT2ATSHRMPOALDH1A1
SCHEMBL209351 0.81 F7 (0.69) NPC1
SCHEMBL29805074 0.81 NR4A2 (0.64) ALDH1A1MTNR1AMTNR1BSLC6A4GPR84
SCHEMBL17026903 0.81 SMN1; SMN2 (0.52) KMT2AALDH1A1HPGDNPC1ATM
SCHEMBL30877199 0.81 ALDH1A1 (0.58) KDM4EKMT2ATSHRMPOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-7880005-B2 reacting 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine with an alkali metal nitrite in the presence of a reducing agent in an aqueous solution of an acidic compound; hydrolysis; industrial scale DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-01 US disclosed
EP-2266992-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1683800-A1 PROCESS FOR PRODUCING THIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (8 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-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID PAH, CA4, TET2 KDM4E 50/4885KMT2A 546/4885TSHR 3194/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S KDM4E 3425/4885KMT2A 3061/4885TSHR 126/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 KDM4E 3761/4885KMT2A 3495/4885TSHR 299/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885KMT2A 3485/4885TSHR 516/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885KMT2A 3485/4885TSHR 516/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R KDM4E 3971/4885KMT2A 3485/4885TSHR 516/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 KDM4E 588/4885KMT2A 1453/4885TSHR 1514/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R KDM4E 3759/4885KMT2A 3461/4885TSHR 411/4885

“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.