SCHEMBL10015596

SCHEMBL10015596

CC(=O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.74
L3MBTL1 Q9Y468 4/20 0.68
TDP1 Q9NUW8 1/20 0.66
RAB9A P51151 9/20 0.62
NPC1 O15118 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
BRD4 O60885 1/20 0.55
MAPK1 P28482 2/20 0.55
GLA P06280 1/20 0.55
ALOX15 P16050 1/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL24654650 0.89 L3MBTL1 (0.78) PTK2L3MBTL1TDP1RAB9ANPC1
SCHEMBL1431137 0.85 PTK2 (1.00) PTK2L3MBTL1TDP1RAB9ANPC1
SCHEMBL614739 0.84 L3MBTL1 (0.70) PTK2L3MBTL1TDP1RAB9ANPC1
SCHEMBL30481206 0.83 PTK2 (0.65) PTK2L3MBTL1TDP1RAB9ANPC1
SCHEMBL1503835 0.83 PTK2 (0.65) PTK2L3MBTL1TDP1RAB9ANPC1
SCHEMBL2632202 0.82 L3MBTL1 (0.68) PTK2L3MBTL1TDP1RAB9ANPC1
SCHEMBL209867 0.82 L3MBTL1 (0.68) PTK2L3MBTL1TDP1RAB9ANPC1
Hydrochloric Acid SCHEMBL329950 0.82 L3MBTL1 (0.68) PTK2L3MBTL1TDP1RAB9ANPC1
Lithium SCHEMBL209869 0.82 L3MBTL1 (0.68) PTK2L3MBTL1TDP1RAB9ANPC1
Hydrochloric Acid SCHEMBL30722380 0.81 PTK2 (0.63) PTK2L3MBTL1TDP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof THE BANK OF NOVA SCOTIA (CA) 2018-06-28 US disclosed
EP-2602242-B1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 US disclosed
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-01-21 US disclosed
US-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-10 US disclosed
US-9175012-B2 Method for producing optically active diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-11-03 US disclosed
US-8901345-B2 Process for preparation of optically active diamine derivative salt DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 US disclosed
US-8357808-B2 Process for producing diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-22 US disclosed
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-09 US 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 (6 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-20150353577-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE F7, MAOA, F13A1 PTK2 1377/4885L3MBTL1 3879/4885TDP1 692/4885
US-20120041206-A1 PROCESS FOR PRODUCING DIAMINE DERIVATIVE TFPI, TFPI2, DAO PTK2 3801/4885L3MBTL1 3736/4885TDP1 404/4885
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT TFPI, F12, TFPI2 PTK2 3842/4885L3MBTL1 4419/4885TDP1 662/4885
US-20160016974-A1 PREPARATION METHOD OF OPTICALLY ACTIVE DIAMINE COMPOUND F12, F8, F11 PTK2 4223/4885L3MBTL1 4199/4885TDP1 2599/4885
US-20120035369-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE DIAMINE DERIVATIVE F12, DAO, TFPI PTK2 3816/4885L3MBTL1 4143/4885TDP1 1541/4885
US-20180179226-A1 Processes for the Preparation of Edoxaban and Intermediates Thereof VKORC1, CYP2C9, VKORC1L1 PTK2 2927/4885L3MBTL1 4822/4885TDP1 2339/4885

“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.