SCHEMBL206867

SCHEMBL206867

Brc1ccc2[nH][c]nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.38
METAP2 P50579 2/20 0.38
CSNK2A1 P68400 2/20 0.38
JAK2 O60674 3/20 0.37
PDPK1 O15530 2/20 0.37
AHR P35869 2/20 0.36
CYP2A6 P11509 1/20 0.36
NR4A2 P43354 1/20 0.36
BACE1 P56817 1/20 0.35
DYRK1A Q13627 3/20 0.34
PRKD3 O94806 2/20 0.34
MAP4K4 O95819 2/20 0.34
CSF1R P07333 2/20 0.34
FLT3 P36888 2/20 0.34
CLK2 P49760 2/20 0.34
MAP4K2 Q12851 2/20 0.34
NTRK3 Q16288 2/20 0.34
AURKB Q96GD4 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
CYP1A2 P05177 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
SCHEMBL207428 0.83 ALDH1A1 (0.41) NOS1METAP2CSNK2A1JAK2PDPK1
SCHEMBL207659 0.75 F7 (0.42) NOS1AHRNR4A2BACE1DYRK1A
SCHEMBL5981619 0.75 DYRK1A (0.42) CSNK2A1CYP2A6DYRK1AHTTKDR
SCHEMBL208893 0.75 KDM4E (0.36) METAP2AHRCYP1A2CYP2C19HTT
SCHEMBL211832 0.75 KMT2A (0.38) NOS1CYP1A2CYP2C19HTTCHEK1
SCHEMBL7221951 0.75 ALDH1A1 (0.42) PDPK1PRKD3FLT3MAP4K2AURKB
SCHEMBL208047 0.73 FLT3 (0.46) NOS1METAP2CSNK2A1JAK2PDPK1
SCHEMBL7271829 0.71 KIF11 (0.36) NOS1CYP2A6CYP1A2ALDH1A1LMNA
SCHEMBL7409270 0.71 DYRK3 (0.43) JAK2BACE1DYRK1AMAP4K4CLK2
SCHEMBL142611 0.71 PKM (0.41) METAP2BACE1CHUK

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 102 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-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE 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-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP claimed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US claimed
EP-1060178-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 2000-12-20 EP claimed
WO-1999045006-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER INC. (US) 1999-09-10 WO claimed
CN-111372924-B Novel one-pot homogenization process for large-scale manufacture of 2-substituted benzimidazoles 埃科莱布美国股份有限公司 2023-09-19 CN disclosed
EP-0343894-A1 Benzamide protease inhibitors PFIZER INC. (US) 1989-11-29 EP disclosed
US-4874864-A ANTIPLASMIN, ANTITHROMBIN AGENTS PFIZER INC. (US) 1989-10-17 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S NOS1 324/4885METAP2 4603/4885CSNK2A1 3768/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 NOS1 728/4885METAP2 3181/4885CSNK2A1 1716/4885
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 NOS1 412/4885METAP2 3854/4885CSNK2A1 4580/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R NOS1 151/4885METAP2 4459/4885CSNK2A1 4596/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R NOS1 151/4885METAP2 4459/4885CSNK2A1 4596/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R NOS1 151/4885METAP2 4459/4885CSNK2A1 4596/4885

“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.