SCHEMBL15071124

SCHEMBL15071124

Cc1ccc2ncc(C(=O)N3CCCCC3)n2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.57
TGFBR1 P36897 1/20 0.45
GRM5 P41594 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
EPHB3 P54753 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL31531 0.83 ADORA2A (0.57) ADORA2ATGFBR1GAAHPGDNPC1
SCHEMBL1355417 0.81 ADORA2A (0.67) ADORA2ATGFBR1GRM5GLAHPGD
SCHEMBL25149857 0.81 ADORA2A (0.55) ADORA2ATGFBR1GAAHPGDNPC1
SCHEMBL14740380 0.79 TGFBR1 (0.53) TGFBR1CYP1A2CYP2C9GAAKDM4E
SCHEMBL12789891 0.79 CYP1A2 (0.55) TGFBR1CYP1A2CYP2C9GAAKDM4E
SCHEMBL18030763 0.77 TGFBR1 (0.54) TGFBR1
Hydrochloric Acid SCHEMBL30809677 0.77 TGFBR1 (0.52) TGFBR1CYP1A2CYP2C9GAAKDM4E
SCHEMBL18786194 0.76 ADORA2A (0.46) ADORA2ATGFBR1PIK3CDPIK3CAPIK3CB
SCHEMBL31554 0.76 MKNK1 (0.63) ADORA2AGRM5
SCHEMBL21083424 0.75 TGFBR1 (0.56) TGFBR1CYP1A2CYP2C9GAAKDM4E

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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 US disclosed
US-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME NEOPHARM CO.,LTD. (KR) 2013-06-27 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-20130165652-A1 NOVEL HETEROCYCLIC COMPOUND, AND COMPOSITION FOR TREATING INFLAMMATORY DISEASES USING SAME F2RL1, F2R, FPR2 ADORA2A 1056/4885TGFBR1 2376/4885GRM5 3210/4885

“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.