SCHEMBL2470786

SCHEMBL2470786

Cc1ccc(-c2cnccn2)c(C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 2/20 0.40
PIM1 P11309 1/20 0.40
HCAR2 Q8TDS4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
DHODH Q02127 2/20 0.39
POLB P06746 2/20 0.38
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL31372672 1.00 PIM2 (0.40) PIM2PIM1HCAR2KDM4ENAPRT
SCHEMBL30775055 0.80 KDM4E (0.48) KDM4ENAPRTALDH1A1NPC1RAB9A
SCHEMBL3385678 0.80 KDM4E (0.48) KDM4ENAPRTALDH1A1NPC1RAB9A
SCHEMBL31372554 0.77 CYP2A6 (0.53) HCAR2KDM4ECYP3A4ALDH1A1NPC1
SCHEMBL2472468 0.77 CYP2A6 (0.53) HCAR2KDM4ECYP3A4ALDH1A1NPC1
SCHEMBL19206989 0.77 CCR1 (0.46) KDM4EDHODHPOLBCYP3A4ALDH1A1
SCHEMBL2473782 0.77 KMO (0.38) KDM4ENPC1RAB9A
SCHEMBL7911678 0.74 CCR1 (0.50) KDM4EALDH1A1RAB9A
SCHEMBL7915364 0.74 MBOAT4 (0.47) PIM2PIM1KDM4EALDH1A1NPC1
SCHEMBL264270 0.74 HCRTR2 (0.50) KDM4ECYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370426-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) 2011-10-05 EP 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
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
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

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 PIM2 3071/4885PIM1 3855/4885HCAR2 611/4885

“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.