SCHEMBL206918

SCHEMBL206918

N=C(N)c1ccccc1-c1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.46
PRSS1 P07477 8/20 0.38
PRSS2 P07478 8/20 0.38
PRSS3 P35030 8/20 0.38
KMT2A Q03164 2/20 0.38
C1S P09871 1/20 0.38
RECQL P46063 1/20 0.38
F7 P08709 5/20 0.35
F10 P00742 5/20 0.35
F2 P00734 4/20 0.35
F12 P00748 1/20 0.35
F3 P13726 1/20 0.35
PKM P14618 1/20 0.35
PLAU P00749 7/20 0.35
PLAT P00750 6/20 0.35
WDR5 P61964 1/20 0.35
F9 P00740 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL32689453 0.84 BCAT2 (0.63) BCAT2PRSS1PRSS2PRSS3KMT2A
SCHEMBL1034554 0.84 BCAT2 (0.63) BCAT2PRSS1PRSS2PRSS3KMT2A
Hydrochloric Acid SCHEMBL27450056 0.82 BCAT2 (0.61) BCAT2PRSS1PRSS2PRSS3KMT2A
Hydrochloric Acid SCHEMBL31621742 0.82 BCAT2 (0.61) BCAT2PRSS1PRSS2PRSS3KMT2A
Ammonia Solution, Strong SCHEMBL29131061 0.82 BCAT2 (0.61) BCAT2PRSS1PRSS2PRSS3KMT2A
SCHEMBL208788 0.81 BCAT2 (0.71) BCAT2KMT2ARECQLMEN1SMN1; SMN2
SCHEMBL7395394 0.80 BCAT2 (0.42) BCAT2PRSS1PRSS2PRSS3KMT2A
SCHEMBL752611 0.79 F2 (0.48) BCAT2PRSS1PRSS2PRSS3KMT2A
SCHEMBL7367739 0.78 BCAT2 (0.35) BCAT2KMT2ALMNAMEN1SMN1; SMN2
SCHEMBL7151686 0.78 BCAT2 (0.55) BCAT2PRSS1PRSS2PRSS3KMT2A

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 29 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
CN-103214414-B The diamine derivative of opticity and manufacture method thereof SANKYO CO. (JP) 2016-02-17 CN disclosed
CN-103214414-A Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-07-24 CN disclosed
CN-101263110-B Optically active diamine derivative and process for producing the same DAIICHI SANKYO CO LTD 2013-04-03 CN 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
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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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
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 (9 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S BCAT2 2009/4885PRSS1 657/4885PRSS2 843/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL BCAT2 331/4885PRSS1 616/4885PRSS2 347/4885
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 BCAT2 1261/4885PRSS1 166/4885PRSS2 372/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BCAT2 915/4885PRSS1 412/4885PRSS2 606/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BCAT2 915/4885PRSS1 412/4885PRSS2 606/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R BCAT2 1189/4885PRSS1 510/4885PRSS2 725/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BCAT2 915/4885PRSS1 412/4885PRSS2 606/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 BCAT2 447/4885PRSS1 596/4885PRSS2 1219/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R BCAT2 1100/4885PRSS1 520/4885PRSS2 829/4885

“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.