Sugi Predict

Sugi Predict / Compounds / SCHEMBL209443

SCHEMBL209443

SCHEMBL209443

Clc1ccc2cn[c]cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.41
▸ NOS1 P29475 2/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ NR4A2 P43354 2/20 0.34
▸ HTR3A P46098 2/20 0.33
▸ F11 P03951 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ AHR P35869 2/20 0.32
▸ CMA1 P23946 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ KMO O15229 1/20 0.30

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
SCHEMBL207926 0.92 CYP2A6 (0.41) CYP2A6NOS1DYRK1ANR4A2HTR3A
SCHEMBL2357811 0.75 CYP1A2 (0.48) CYP2A6BACE1KDM4EMEN1ALDH1A1
SCHEMBL207996 0.75 BACE1 (0.42) CYP2A6PDGFRBPDGFRAAHRPDE3B
SCHEMBL207724 0.75 BACE1 (0.42) CYP2A6NOS1DYRK1ANR4A2AHR
SCHEMBL3627798 0.71 — —
SCHEMBL18769939 0.71 BACE1 (0.47) HRH3BACE1KDM4EMEN1KMT2A
SCHEMBL15512446 0.71 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL28880165 0.71 BACE1 (0.47) DYRK1ABACE1
SCHEMBL9196 0.70 MAPT (0.36) CYP2A6BACE1KDM4EALDH1A1MAPT
SCHEMBL2228619 0.70 CYP2A6 (0.50) CYP2A6NOS1DYRK1ANR4A2HTR3A

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 46 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
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 — — EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — 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
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 — — US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 — — US disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 — — 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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 — — 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
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 — — 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 (7 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 CYP2A6 1201/4885NOS1 107/4885DYRK1A 1427/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885NOS1 151/4885DYRK1A 2574/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885NOS1 151/4885DYRK1A 2574/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CYP2A6 2751/4885NOS1 151/4885DYRK1A 2574/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CYP2A6 2519/4885NOS1 1248/4885DYRK1A 1167/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CYP2A6 2464/4885NOS1 164/4885DYRK1A 2346/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CYP2A6 1405/4885NOS1 287/4885DYRK1A 1228/4885

“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.