SCHEMBL207848

SCHEMBL207848

O=C1Cc2ccccc2N[C]=N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.46
PDK2 Q15119 1/20 0.46
SRC P12931 2/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
HSP90AA1 P07900 1/20 0.37
THRB P10828 1/20 0.37
HK1 P19367 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK13 O15264 1/20 0.36

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
SCHEMBL993085 0.71 AHR (0.50) AHRPDK2SRCMAPTNPC1
SCHEMBL1267195 0.68 PLAU (0.45) AHRPDK2MAPTNPC1KDM4E
SCHEMBL676633 0.68 CYP1A2 (0.41) AHRPDK2CYP1A2MAOATDP2
SCHEMBL11699165 0.66
SCHEMBL10398396 0.64 NPC1 (0.42) AHRPDK2SRCMAPTNPC1
Oxindole SCHEMBL29358826 0.63 AHR (1.00) AHRPDK2SRCMAPTNPC1
Oxindole SCHEMBL1144643 0.63 AHR (1.00) AHRPDK2SRCMAPTNPC1
Oxindole SCHEMBL19504 0.63 AHR (1.00) AHRPDK2SRCMAPTNPC1
SCHEMBL1127362 0.63 NPC1 (0.50) AHRPDK2SRCMAPTNPC1
SCHEMBL1681453 0.63 MAPT (0.41) AHRPDK2SRCMAPTNPC1

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 26 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
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
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 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 (12 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 AHR 3114/4885PDK2 2964/4885SRC 4531/4885
US-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 AHR 3066/4885PDK2 522/4885SRC 2025/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 AHR 314/4885PDK2 1709/4885SRC 3616/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL AHR 4803/4885PDK2 390/4885SRC 3531/4885
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 AHR 3301/4885PDK2 2198/4885SRC 4744/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885PDK2 1876/4885SRC 4768/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885PDK2 1876/4885SRC 4768/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R AHR 2942/4885PDK2 1853/4885SRC 4684/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 AHR 4279/4885PDK2 1476/4885SRC 4549/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885PDK2 1876/4885SRC 4768/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 AHR 3066/4885PDK2 522/4885SRC 2025/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R AHR 2824/4885PDK2 2214/4885SRC 4748/4885

“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.