SCHEMBL8385558

SCHEMBL8385558

c1ccc(-c2cnc3c(c2)CCN3)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.61
GRM5 P41594 2/20 0.60
PIK3CD O00329 2/20 0.56
ABL1 P00519 3/20 0.55
CDK8 P49336 3/20 0.55
CHEK1 O14757 2/20 0.55
AURKA O14965 2/20 0.55
DAPK3 O43293 2/20 0.55
PRKD3 O94806 2/20 0.55
MAP4K4 O95819 2/20 0.55
RET P07949 2/20 0.55
MET P08581 2/20 0.55
PDGFRB P09619 2/20 0.55
PIM1 P11309 2/20 0.55
FGFR1 P11362 2/20 0.55
PDGFRA P16234 2/20 0.55
FLT1 P17948 2/20 0.55
LTK P29376 2/20 0.55
GRK5 P34947 2/20 0.55
KDR P35968 2/20 0.55

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
SCHEMBL8385317 0.85 ASIC3 (0.57) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL10293323 0.83 ASIC3 (0.62) ASIC3GRM5PIK3CDABL1CDK8
SCHEMBL8388712 0.83 ASIC3 (0.62) ASIC3GRM5PIK3CDABL1CDK8
SCHEMBL8389157 0.83 ASIC3 (0.58) ASIC3GRM5PIK3CDABL1CDK8
SCHEMBL8388475 0.82 ASIC3 (0.51) ASIC3GRM5PIK3CDNTRK1PIK3C3
SCHEMBL12843362 0.82 ASIC3 (0.54) ASIC3GRM5PIK3CDABL1CDK8
SCHEMBL6616746 0.82 ASIC3 (0.57) ASIC3GRM5PIK3CDABL1CDK8
SCHEMBL13004738 0.80 ASIC3 (0.58) ASIC3GRM5PIK3CDABL1CDK8
SCHEMBL10293127 0.80 ASIC3 (0.51) ASIC3GRM5PIK3CDPIK3C3NNMT
SCHEMBL12843365 0.80 FEN1 (0.53) ASIC3GRM5PIK3CDABL1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2022-06-28 US disclosed
CN-109803963-B Cyano-substituted heterocycles having USP30 inhibitor activity 特殊治疗有限公司 2022-04-26 CN disclosed
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-09-16 US disclosed
EP-3523291-B1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-04-14 EP disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20110092538-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-04-21 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US 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 (5 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 ASIC3 4092/4885GRM5 3903/4885PIK3CD 311/4885
US-20110092538-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885GRM5 4037/4885PIK3CD 139/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ASIC3 4358/4885GRM5 4037/4885PIK3CD 139/4885
US-20210284631-A1 CYANO-SUBSTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 USP30, USP28, USP1 ASIC3 4660/4885GRM5 4074/4885PIK3CD 2616/4885
US-11370784-B2 Cyano-substituted heterocycles with activity as inhibitors of USP30 USP30, USP28, USP1 ASIC3 4660/4885GRM5 4074/4885PIK3CD 2616/4885

“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.