SCHEMBL22487790

SCHEMBL22487790

CCc1nc2c([nH]1)CCC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.38
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 2/20 0.38
HRH4 Q9H3N8 1/20 0.35
SMPD3 Q9NY59 1/20 0.34
DDAH1 O94760 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30

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
SCHEMBL9178197 0.96 HRH4 (0.38) ADORA1ADORA3ADORA2AHRH4SMPD3
SCHEMBL22858756 0.80 HRH4 (0.36) HRH4SMPD3GAAHTTHPGD
SCHEMBL8957952 0.77 ALDH1A1 (0.41) HRH4
SCHEMBL12989184 0.77 HRH4 (0.38) ADORA1ADORA3ADORA2AHRH4DDAH1
SCHEMBL13318361 0.75 HRH4 (0.35) HRH4SMPD3
SCHEMBL23642016 0.75 PDCD1 (0.40) ADORA1ADORA3ADORA2ADDAH1
Hydrochloric Acid SCHEMBL14716148 0.73 HDAC6 (0.36) HRH4SMPD3HTT
Hydrochloric Acid SCHEMBL28836282 0.73 HRH4 (0.34) HRH4SMPD3
SCHEMBL21663010 0.73 L3MBTL1 (0.47) ADORA1ADORA3ADORA2ADDAH1TNKS2
SCHEMBL18711813 0.73 HPGD (0.54) KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2022-06-07 US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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 (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-11352340-B2 Pyridine and pyridimine compounds as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3CB ADORA1 1800/4885ADORA3 1264/4885ADORA2A 1457/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS ADORA1 4626/4885ADORA3 4761/4885ADORA2A 4791/4885

“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.