SCHEMBL107990

SCHEMBL107990

O=C(O)N1CCn2c(Br)nnc2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.57
TACR3 P29371 4/20 0.39
PDK2 Q15119 1/20 0.37
KRAS P01116 1/20 0.35
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 1/20 0.34
KCNH2 Q12809 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL1497210 0.84 P2RX7 (0.46) P2RX7TACR3
SCHEMBL22683927 0.84 P2RX7 (0.56) P2RX7TACR3PDK2KRASCYP2C19
SCHEMBL31447391 0.80 P2RX7 (0.52) P2RX7TACR3KRAS
SCHEMBL3135974 0.76 DPP4 (0.55) DPP4DPP8
SCHEMBL25239634 0.75 P2RX7 (0.51) P2RX7TACR3PDK2DPP4KCNH2
SCHEMBL26123625 0.75 P2RX7 (0.40) P2RX7TACR3PDK2DPP4DPP8
SCHEMBL572678 0.75 PDK2 (0.46) P2RX7TACR3PDK2DPP4DPP8
SCHEMBL107690 0.74 P2RX7 (1.00) P2RX7
SCHEMBL1017946 0.72 P2RX7 (0.54) P2RX7TACR3PDK2
SCHEMBL9931417 0.71 P2RX7 (1.00) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062486-A1 KRAS G12C INHIBITOR AND PHARMACEUTICAL USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2023-03-02 US disclosed
CN-114630822-A Biaryl dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2022-06-14 CN disclosed
EP-2424869-B1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LTD (GB) 2016-06-22 EP disclosed
EP-2892890-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS Cancer Research Technology Ltd (GB) 2015-07-15 EP disclosed
WO-2014037751-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-03-13 WO disclosed
US-8501946-B2 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators GLAXO GROUP LIMITED (GB) 2013-08-06 US disclosed
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2012-06-21 US disclosed
EP-2424869-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2012-03-07 EP disclosed
WO-2010125102-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-11-04 WO 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 (2 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-20230062486-A1 KRAS G12C INHIBITOR AND PHARMACEUTICAL USE THEREOF KRAS, NRAS, HRAS P2RX7 3986/4885TACR3 4244/4885PDK2 1894/4885
US-20120157436-A1 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX6, P2RX3 P2RX7 1/4885TACR3 94/4885PDK2 2204/4885

“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.