SCHEMBL17359685

SCHEMBL17359685

Cc1ccc(-c2nnnn2C)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
HSD11B1 P28845 6/20 0.46
KMO O15229 1/20 0.44
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CRHR1 P34998 1/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 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
SCHEMBL16014770 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HSD11B1KMONPSR1RAB9A
SCHEMBL18653356 0.80 SMN1; SMN2 (0.44) SMN1; SMN2HSD11B1KMONPSR1HIF1A
SCHEMBL30147353 0.79 HSD11B1 (0.61) SMN1; SMN2HSD11B1KMORAB9AALDH1A1
SCHEMBL16014666 0.77 LMNA (0.60) SMN1; SMN2HSD11B1KMONPSR1RAB9A
SCHEMBL16014630 0.76 SMN1; SMN2 (0.41) SMN1; SMN2HSD11B1KMONPSR1HIF1A
SCHEMBL2666044 0.76 SMN1; SMN2 (0.46) SMN1; SMN2HSD11B1KMONPSR1HIF1A
SCHEMBL19207105 0.74 CSNK2A1 (0.45) SMN1; SMN2HPGDNPSR1CYP1A2CYP2C9
SCHEMBL17358318 0.74 SMN1; SMN2 (0.39) SMN1; SMN2HSD11B1KMOHPGDNPSR1
SCHEMBL926841 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HSD11B1KMOHPGDNPSR1
SCHEMBL9822883 0.73 CA1 (0.44) SMN1; SMN2NPSR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081312-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2017-03-23 US disclosed
US-9540345-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2017-01-10 US disclosed
US-20150368228-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-24 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 (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-20170081312-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SMN1; SMN2 2886/4885HSD11B1 1351/4885KMO 3908/4885
US-20150368228-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SMN1; SMN2 2886/4885HSD11B1 1351/4885KMO 3908/4885

“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.