SCHEMBL15091015

SCHEMBL15091015

Nc1cccc(C2CCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
CHRNA7 P36544 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
CNR2 P34972 4/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
BACE1 P56817 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE8A O60658 1/20 0.37

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
SCHEMBL30279700 0.94 HTR1A (0.46) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL21988030 0.94 HTR1A (0.46) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL21117515 0.94 HTR1A (0.46) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL3925163 0.91 ASIC3 (0.43) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL29900984 0.91 ASIC3 (0.43) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL171452 0.82 HRH4 (0.50) HTR1ADRD2DRD4HRH4
SCHEMBL10008729 0.82 HTR1A (0.53) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL627837 0.81 HTR1A (0.41) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL20689024 0.81 HTR1A (0.41) HTR1ADRD2DRD4CHRNA7ASIC3
SCHEMBL20689022 0.81 HTR1A (0.41) HTR1ADRD2DRD4CHRNA7ASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
CN-104159891-B Pyridazine amide compound and they are as the purposes of SYK inhibitor 霍夫曼-拉罗奇有限公司 2016-09-07 CN disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
EP-2802567-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
CN-104159891-A Pyridazine amide compounds and their use as SYK inhibitors HOFFMANN LA ROCHE 2014-11-19 CN disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 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-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 HTR1A 2406/4885DRD2 3208/4885DRD4 3836/4885

“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.