SCHEMBL206827

SCHEMBL206827

Fc1ccc2[nH][c]c(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.39
KDM4E B2RXH2 3/20 0.37
MPO P05164 2/20 0.37
ACHE P22303 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KIF11 P52732 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
METAP2 P50579 1/20 0.36
CHUK O15111 1/20 0.36
AHR P35869 1/20 0.35
HTR2A P28223 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
FEN1 P39748 1/20 0.35
HTR1A P08908 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL207498 0.76 GPR84 (0.39) GPR84ALDH1A1GAACHUKAHR
SCHEMBL28971569 0.76 GPR84 (0.39) GPR84KDM4EMPOACHEALDH1A1
SCHEMBL699788 0.76 KIF11 (0.44) GPR84KDM4EMPOACHEALDH1A1
SCHEMBL206305 0.76 KDM4E (0.39) GPR84KDM4EMPOACHEALDH1A1
SCHEMBL208050 0.72 KDM4E (0.38) GPR84KDM4EMPOACHEALDH1A1
SCHEMBL28971519 0.72 GPR84 (0.36) GPR84KDM4EMPOACHEALDH1A1
SCHEMBL570354 0.70 ALDH1A1 (0.40) GPR84KDM4EALDH1A1GLAGAA
SCHEMBL7424492 0.68 ACHE (0.45) ACHEALDH1A1GAACHUK
SCHEMBL209028 0.68 JAK2 (0.41) GPR84HTTMETAP2CHUKAHR
SCHEMBL207627 0.67 KEAP1 (0.51) GPR84KDM4EMPOALDH1A1GLA

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-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-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 GPR84 1536/4885KDM4E 3425/4885MPO 412/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 GPR84 442/4885KDM4E 2715/4885MPO 1527/4885
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 GPR84 2471/4885KDM4E 3761/4885MPO 23/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GPR84 2766/4885KDM4E 3971/4885MPO 110/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GPR84 2766/4885KDM4E 3971/4885MPO 110/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GPR84 2766/4885KDM4E 3971/4885MPO 110/4885

“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.