SCHEMBL4362864

SCHEMBL4362864

CCc1cc(C)c2nc(CC)[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 2/20 0.41
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
DDAH1 O94760 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
TP53 P04637 1/20 0.31
TNKS2 Q9H2K2 1/20 0.30
FABP4 P15090 1/20 0.30
POLB P06746 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
SCHEMBL3206001 0.85 NOS3 (0.38) ADORA1ADORA3ADORA2ANOS3NOS2
SCHEMBL3210413 0.84 ADORA1 (0.36) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL1918476 0.84 ADORA1 (0.54) ADORA1ADORA3ADORA2AGAAHTT
SCHEMBL3206456 0.83 ADORA1 (0.35) ADORA1ADORA3ADORA2A
SCHEMBL14134995 0.83 CACNA1H (0.36) ADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL3218809 0.82 POLB (0.41) GAADDAH1SMN1; SMN2L3MBTL1TP53
SCHEMBL3224434 0.81 JAK2 (0.34) ADORA1ADORA3ADORA2A
SCHEMBL14134952 0.81 ADORA1 (0.33) ADORA1ADORA3ADORA2ANOS2
SCHEMBL3209958 0.81 ADORA1 (0.33) ADORA1ADORA3ADORA2A
SCHEMBL3199658 0.81 ADORA1 (0.40) ADORA1ADORA3ADORA2AGAAHTT

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
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 EP 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-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA ADORA1 890/4885ADORA3 440/4885ADORA2A 940/4885

“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.