SCHEMBL19367482

SCHEMBL19367482

Cc1cc(C(=O)CC#N)cc(N2CCOCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
MAPT P10636 1/20 0.44
PIK3CA P42336 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HPGD P15428 1/20 0.43
KHK P50053 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL17608482 0.84 RAB9A (0.45) HTTRAB9AATMKMT2ATSHR
SCHEMBL3276269 0.80 PIK3CA (0.58) HTTRAB9AATMKMT2ATSHR
SCHEMBL28010208 0.78 ALDH1A1 (0.41) HTTATMUSP2MAPTALDH1A1
SCHEMBL19367477 0.76 PIK3CA (0.60) HTTRAB9AATMKMT2ATSHR
SCHEMBL28573413 0.73 GSK3B (0.65) HTTRAB9AATMKMT2ATSHR
SCHEMBL20694087 0.73 KMT2A (0.58) HTTATMKMT2ATSHRCRHBP
SCHEMBL23949228 0.72 KMT2A (0.48) HTTRAB9AATMKMT2ATSHR
SCHEMBL30353350 0.72 KMT2A (0.48) HTTRAB9AATMKMT2ATSHR
SCHEMBL23949226 0.72 PPARG (0.55) HTTRAB9AATMKMT2ATSHR
SCHEMBL19367484 0.71 KCNH2 (0.39) HTTATMUSP2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2017-09-21 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 (1 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-20170267656-A1 PYRAZOLYL-SUBSTITUTED PYRIDONE COMPOUNDS AS SERINE PROTEASE INHIBITORS SERPINE1, PRSS1, SPINT2 HTT 2563/4885RAB9A 2143/4885ATM 392/4885

“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.