SCHEMBL3385656

SCHEMBL3385656

Cc1ccnc(-c2ccc(C)nc2C(=O)O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.41
HCRTR1 O43613 7/20 0.41
ALOX15 P16050 1/20 0.41
TGFBR1 P36897 1/20 0.38
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 1/20 0.36
BRAF P15056 1/20 0.36
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SYK P43405 1/20 0.34
MYC P01106 1/20 0.34
SLC6A7 Q99884 1/20 0.34

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
SCHEMBL31372446 1.00 HCRTR2 (0.41) HCRTR2HCRTR1ALOX15TGFBR1KDM4A
SCHEMBL30775045 0.88 HCRTR2 (0.50) HCRTR2HCRTR1ALOX15KDM4EALDH1A1
SCHEMBL264270 0.88 HCRTR2 (0.50) HCRTR2HCRTR1ALOX15KDM4EALDH1A1
SCHEMBL607037 0.87 HCRTR2 (0.49) HCRTR2HCRTR1ALOX15KDM4EALDH1A1
Lithium SCHEMBL607039 0.87 HCRTR2 (0.49) HCRTR2HCRTR1ALOX15KDM4EALDH1A1
SCHEMBL2476367 0.83 HCRTR2 (0.42) HCRTR2HCRTR1KDM4EKMT2AALDH1A1
SCHEMBL2471955 0.80 HCRTR2 (0.42) HCRTR2HCRTR1ALOX15KDM4EKMT2A
SCHEMBL30775053 0.80 HCRTR2 (0.42) HCRTR2HCRTR1ALOX15KDM4EKMT2A
SCHEMBL31336716 0.78 HCRTR2 (0.42) HCRTR2HCRTR1ALOX15KDM4EALDH1A1
SCHEMBL2473782 0.78 KMO (0.38) ALOX15TGFBR1KDM4EBRAFMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300857-A N-{[(ir,4s,6r-3-(2-pyridinylcarbonyl)-3-azabicyclo [4.1.0]hept-4-yl] Methyl}-2-heteroarylamine Derivatives And Uses Thereof 2011-12-28 CN disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B HCRTR2 1425/4885HCRTR1 2016/4885ALOX15 4372/4885

“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.