SCHEMBL9609205

SCHEMBL9609205

Clc1cc(NCCc2ccccc2)ncn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.58
MAPK1 P28482 3/20 0.48
HTT P42858 3/20 0.48
APP P05067 2/20 0.48
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ACHE P22303 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL20563545 0.84 GALR3 (0.55) HTR7MAPK1HTTLMNACYP1A2
SCHEMBL21593125 0.84 CYP1A2 (0.51) HTR7CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL20564558 0.84 CCNC (0.47) HTR7HTTCCNCCDK8MKNK1
SCHEMBL1666072 0.83 CYP1A2 (0.64) MAPK1CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL29836457 0.83 CYP1A2 (0.64) MAPK1CYP1A2CYP3A4CYP2D6ALOX15
SCHEMBL28023199 0.82 CNR1 (0.53) HTR7CNR1CNR2SMN1; SMN2
SCHEMBL23291892 0.81 CCNC (0.46) HTR7HTTCYP1A2CYP2D6CYP2C19
SCHEMBL20562824 0.81 ABL1 (0.42) HTR7HTTCCNCCDK8MKNK2
SCHEMBL16343362 0.81 HTR7 (0.62) HTR7MAPK1HTTAPPEGFR
SCHEMBL20563447 0.79 HTR7 (0.41) HTR7MAPK1HTTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 US disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 WO disclosed
EP-2832733-B1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-08-29 EP disclosed
US-9212170-B2 4-alkanoylamino-3-pyrazolone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-15 US disclosed
EP-2832733-A1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-04 EP disclosed
CN-104321318-A 4-alkanoylamino-3-pyrazolone derivative DAIICHI SANKYO CO LTD 2015-01-28 CN disclosed
US-20150011552-A1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-08 US disclosed
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 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 (3 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-20150011552-A1 4-ALKANOYLAMINO-3-PYRAZOLONE DERIVATIVE EPOR, EGLN2, EGLN3 HTR7 2851/4885MAPK1 3413/4885HTT 1121/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 HTR7 1613/4885MAPK1 4076/4885HTT 2572/4885
US-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA HTR7 1771/4885MAPK1 393/4885HTT 4795/4885

“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.