SCHEMBL7703073

SCHEMBL7703073

Cc1n[nH]c2cncc(Cl)c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
BTK Q06187 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31

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
SCHEMBL10200881 0.79 ADORA2A (0.36) ADORA2AADORA2BCYP1A2BTK
SCHEMBL31190661 0.76 GAA (0.32) GAAGRIA1CACNG8
SCHEMBL1848211 0.76 GAA (0.32) GAAGRIA1CACNG8
SCHEMBL27192096 0.76 ADORA2A (0.34) ADORA2AADORA2BCYP1A2BTK
SCHEMBL17028038 0.76 GAA (0.56) GAABTKGRIA1CACNG8
SCHEMBL25112233 0.72 BTK (0.31) BTK
SCHEMBL2614375 0.72 GAA (0.61) CYP1A2GAA
SCHEMBL19780200 0.72 MAP2K1 (0.37) ADORA2AADORA2B
SCHEMBL25112226 0.71 HCAR2 (0.34) ADORA2AADORA2BCYP1A2
SCHEMBL13122187 0.69 MAP2K4 (0.34) ADORA2AADORA2BCYP1A2GAA

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-10646492-B2 Heterocyclylamines as PI3K inhibitors INCYTE CORPORATION (US) 2020-05-12 US disclosed
US-20190298724-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION 2019-10-03 US disclosed
US-9199982-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2015-12-01 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 US disclosed
WO-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 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 (4 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-10646492-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB ADORA2A 991/4885ADORA2B 2318/4885CYP1A2 1046/4885
US-20190298724-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ADORA2A 991/4885ADORA2B 2318/4885CYP1A2 1046/4885
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 LRRK2, PARK7, GRK3 ADORA2A 1701/4885ADORA2B 1234/4885CYP1A2 3622/4885
US-20130059835-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS PIK3CA, PIK3CD, PIK3CB ADORA2A 991/4885ADORA2B 2318/4885CYP1A2 1046/4885

“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.