SCHEMBL208047

SCHEMBL208047

O=c1n[c][nH]c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.46
JAK2 O60674 2/20 0.46
CHEK1 O14757 2/20 0.46
PIM1 P11309 2/20 0.46
PRKD3 O94806 2/20 0.46
MAP4K4 O95819 2/20 0.46
CSF1R P07333 2/20 0.46
CLK2 P49760 2/20 0.46
MAP4K2 Q12851 2/20 0.46
DYRK1A Q13627 2/20 0.46
NTRK3 Q16288 2/20 0.46
AURKB Q96GD4 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
NTRK1 P04629 1/20 0.46

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
SCHEMBL207151 0.86 METAP2 (0.46) FLT3JAK2CHEK1PIM1PRKD3
SCHEMBL208230 0.79 LMNA (0.42) FLT3JAK2CHEK1PIM1MAP4K4
SCHEMBL210679 0.75 TYMS (0.37) PIM1
SCHEMBL206867 0.73 NOS1 (0.38) FLT3JAK2CHEK1PIM1PRKD3
SCHEMBL1584889 0.70 PIM1 (0.56) FLT3JAK2CHEK1PIM1PRKD3
SCHEMBL208744 0.70 LMNA (0.51) FLT3JAK2CHEK1PIM1PRKD3
SCHEMBL207428 0.69 ALDH1A1 (0.41) FLT3JAK2CHEK1PIM1DYRK1A
SCHEMBL23132419 0.69 FLT3 (0.47) FLT3JAK2CHEK1PIM1PRKD3
SCHEMBL208837 0.68 DAO (0.46) LMNAHPGDALDH1A1MAPTMAPK1
SCHEMBL208833 0.68 DAO (0.46) CHEK1LMNAHPGDALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP claimed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
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 claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
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-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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S FLT3 211/4885JAK2 87/4885CHEK1 1956/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 FLT3 116/4885JAK2 118/4885CHEK1 3500/4885
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 FLT3 102/4885JAK2 413/4885CHEK1 3562/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R FLT3 146/4885JAK2 218/4885CHEK1 2462/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R FLT3 146/4885JAK2 218/4885CHEK1 2462/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R FLT3 146/4885JAK2 218/4885CHEK1 2462/4885

“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.