SCHEMBL2914740

SCHEMBL2914740

COC(=O)c1cc(-c2ccccn2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
DCTPP1 Q9H773 5/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AXL P30530 1/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
JMJD6 Q6NYC1 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
SCHEMBL13855348 0.90 ALDH1A1 (0.39) GRM5L3MBTL1DCTPP1ALDH1A1TSHR
SCHEMBL2914146 0.90 RPA1 (0.45) ALDH1A1TSHRSLC16A3SLC16A1
SCHEMBL2917351 0.88 SLC16A3 (0.40) GRM5L3MBTL1ALDH1A1AXLMEN1
SCHEMBL14544261 0.88 GRM5 (0.39) GRM5L3MBTL1DCTPP1GABRG2GABRB3
SCHEMBL5522342 0.87 JMJD6 (0.39) ALDH1A1TSHRHSD17B10HPGDKMT2A
SCHEMBL5532056 0.86 CNR1 (0.42) L3MBTL1ALDH1A1TSHRHSD17B10RXFP1
SCHEMBL14544274 0.85 L3MBTL1 (0.39) GRM5L3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL5520952 0.85 NTRK1 (0.42) SLC16A3SLC16A1
SCHEMBL2915785 0.84 ADORA2A (0.42) L3MBTL1ALDH1A1HPGDMEN1KMT2A
SCHEMBL5522493 0.84 KDM4C (0.51) ALDH1A1TSHRKDM4EJMJD6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20090137600-A1 Antiplatelet agent and process for producing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US disclosed
US-20090137600-A1 Antiplatelet agent and process for producing the same DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-05-28 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1775293-A1 ANTIPLATELET AGENT AND PROCESS FOR PRODUCING THE SAME DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (4 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 GRM5 1545/4885L3MBTL1 4767/4885DCTPP1 4307/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 GRM5 1478/4885L3MBTL1 4635/4885DCTPP1 3147/4885
US-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 GRM5 2491/4885L3MBTL1 3071/4885DCTPP1 3451/4885
US-20090137600-A1 Antiplatelet agent and process for producing the same PFKP, GP6, PF4 GRM5 3692/4885L3MBTL1 4854/4885DCTPP1 359/4885

“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.