SCHEMBL20110658

SCHEMBL20110658

Cc1ccc(C#CC2CC2)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.40
OGA O60502 1/20 0.35
PTPN11 Q06124 1/20 0.34
GRM5 P41594 2/20 0.33
CYP1A2 P05177 2/20 0.33
P2RX3 P56373 2/20 0.32
AR P10275 1/20 0.32
HCRTR1 O43613 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CHRNB2 P17787 2/20 0.30
CHRNA2 Q15822 2/20 0.30
KCNH2 Q12809 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL20110654 0.84 OGA (0.32) PGK1OGAGRM5
SCHEMBL18188713 0.79 OGA (0.35) PGK1OGAPTPN11GRM5CYP1A2
SCHEMBL20110653 0.76 GRM5 (0.36) GRM5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL20110656 0.71 CCR1 (0.35) GRM5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19406878 0.71 PGK1 (0.36) PGK1PTPN11GRM5CYP1A2AR
SCHEMBL20110657 0.70 GRM5 (0.51) GRM5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL18188415 0.70 GRM5 (0.44) PGK1PTPN11GRM5CYP1A2PDK2
SCHEMBL14855312 0.70 CCR1 (0.36) GRM5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL30242159 0.70 ALDH1A1 (0.49) CYP1A2HRH4CYP2C9CYP2C19NPSR1
SCHEMBL333768 0.70 ALDH1A1 (0.49) CYP1A2HRH4CYP2C9CYP2C19NPSR1

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
US-20230110576-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-04-13 US disclosed
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-04-26 US disclosed
US-20210284641-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-16 US disclosed
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 US disclosed
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-03 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 (4 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-20210284641-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A PGK1 3424/4885OGA 2777/4885PTPN11 1535/4885
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A PGK1 3424/4885OGA 2777/4885PTPN11 1535/4885
US-20230110576-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A PGK1 3424/4885OGA 2777/4885PTPN11 1535/4885
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators GRIN1, GRIN2B, GRIN3A PGK1 3424/4885OGA 2777/4885PTPN11 1535/4885

“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.