SCHEMBL21887464

SCHEMBL21887464

CC(C)n1cc(-c2cccc(N)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.47
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CG P48736 2/20 0.46
PIP5K1C O60331 1/20 0.46
PI4KA P42356 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
KDM5B Q9UGL1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
PIM1 P11309 2/20 0.40
PDK2 Q15119 1/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
IDH1 O75874 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL26529057 0.81 KDM5B (0.44) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA
SCHEMBL21887565 0.79 PIK3CD (0.44) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA
SCHEMBL25794156 0.79 ASIC3 (0.52) ASIC3PIK3CDPIK3CAPIK3CGPI4KA
SCHEMBL21887564 0.77 JAK2 (0.50) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA
SCHEMBL29403530 0.77 JAK2 (0.50) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA
SCHEMBL18770695 0.76 KDM5B (0.44) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA
SCHEMBL21819016 0.75 ASIC3 (0.47) ASIC3KDM5BIRAK4NOS3NOS1
SCHEMBL30627889 0.75 ASIC3 (0.47) ASIC3KDM5BIRAK4NOS3NOS1
SCHEMBL20324964 0.74 KDR (0.46) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA
SCHEMBL29371526 0.73 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGPIP5K1CPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
US-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2022-02-24 US disclosed
WO-2020061112-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2020-03-26 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-20220056019-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ASIC3 2343/4885PIK3CD 2475/4885PIK3CA 1354/4885
US-20220054469-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 ASIC3 2343/4885PIK3CD 2475/4885PIK3CA 1354/4885

“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.