SCHEMBL2306802

SCHEMBL2306802

Oc1ccc2c(C3CCC3)nn(Cc3ccccc3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.50
ADORA1 P30542 13/20 0.44
ADORA3 P0DMS8 3/20 0.44
ADORA2A P29274 2/20 0.42
MGLL Q99685 1/20 0.40
CHRNA7 P36544 1/20 0.40
DRD2 P14416 1/20 0.40
PLA2G2A P14555 1/20 0.39
ACHE P22303 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL1939148 0.96 SLC22A12 (0.49) SLC22A12ADORA1ADORA3ADORA2AMGLL
SCHEMBL2305448 0.95 SLC22A12 (0.55) SLC22A12ADORA1ADORA3ADORA2AMGLL
SCHEMBL1940064 0.85 SLC22A12 (0.46) SLC22A12ADORA1ADORA3ADORA2A
SCHEMBL5188426 0.82 GRM4 (0.39) SLC22A12ADORA1ADORA3ADORA2ACHRNA7
SCHEMBL1941016 0.81 CNR1 (0.46) SLC22A12ADORA1ADORA3ADORA2AACHE
SCHEMBL1942089 0.80 CNR2 (0.45) SLC22A12ADORA1ADORA3ADORA2AACHE
SCHEMBL27983382 0.78 CNR1 (0.52) SLC22A12ACHECNR1CNR2
SCHEMBL1941836 0.77 SLC22A12 (0.46) SLC22A12ADORA1ADORA3ADORA2ACHRNA7
SCHEMBL1940935 0.76 CA12 (0.44) SLC22A12ADORA1ADORA3ADORA2AACHE
SCHEMBL177096 0.76 SLC22A12 (0.51) SLC22A12PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102171191-A Indazole derivative ASAHI KASEI PHARMA CORP 2011-08-31 CN claimed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP claimed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US claimed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
CN-102171191-A Indazole derivative ASAHI KASEI PHARMA CORP 2011-08-31 CN disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
WO-2010041568-A1 INDAZOLE DERIVATIVE 旭化成ファーマ株式会社 (JP) 2010-04-15 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 (2 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 SLC22A12 2079/4885ADORA1 167/4885ADORA3 101/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 SLC22A12 2044/4885ADORA1 255/4885ADORA3 187/4885

“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.