SCHEMBL20110657

SCHEMBL20110657

Cc1ccc(C#Cc2ccccc2)c(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
CYP2D6 P10635 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
THPO P40225 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRM1 Q13255 1/20 0.51

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
SCHEMBL18188373 0.79 GRM5 (0.51) GRM5NPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL20110653 0.77 GRM5 (0.36) GRM5NPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL18188287 0.75 APP (0.39) GRM5NPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL20110656 0.73 CCR1 (0.35) GRM5CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL14855312 0.71 CCR1 (0.36) GRM5SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL333768 0.71 ALDH1A1 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30242159 0.71 ALDH1A1 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL14975683 0.70 FFAR1 (0.60) GRM5NPC1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL20110658 0.70 PGK1 (0.40) GRM5CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL13156707 0.70 APP (0.57) GRM5NPC1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20210284641-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A GRM5 24/4885NPC1 2055/4885SMN1; SMN2 1918/4885
US-20180118740-A1 AZABENZIMIDAZOLES AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GRIN2B, GRIN3A GRM5 24/4885NPC1 2055/4885SMN1; SMN2 1918/4885
US-11312712-B2 Azabenzimidazoles and their use as AMPA receptor modulators GRIN1, GRIN2B, GRIN3A GRM5 24/4885NPC1 2055/4885SMN1; SMN2 1918/4885

“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.