SCHEMBL6833689

SCHEMBL6833689

Cc1ccc2c(c1)nc(C(F)(F)F)c1nc(-c3nccs3)n(CCC3CCNCC3)c12

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MDM2 Q00987 1/20 0.31
KHK P50053 1/20 0.31
ADRB2 P07550 1/20 0.30
ADRA2A P08913 1/20 0.30
HTR2C P28335 1/20 0.30
AXL P30530 1/20 0.30
HRH1 P35367 1/20 0.30
HTR2B P41595 1/20 0.30
HTR6 P50406 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
NPY1R P25929 1/20 0.30
PRKCZ Q05513 1/20 0.30
SRC P12931 1/20 0.30
ZAP70 P43403 1/20 0.30
SYK P43405 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
SCHEMBL6838718 0.92 CCR3 (0.33) MDM2NPY1RPRKCZ
SCHEMBL6834013 0.91 NPY1R (0.36) MDM2ADRB2NPY1R
SCHEMBL6838657 0.89 NPY1R (0.36) MDM2KHKADRB2NPY1R
SCHEMBL6838592 0.87 ADRB2 (0.34) ADRB2ADRA2AHTR2CAXLHRH1
SCHEMBL6838676 0.86 JAK1 (0.31) ZAP70SYK
SCHEMBL6840088 0.86 MAPT (0.35) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL6838737 0.84 JAK2 (0.32) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL6838673 0.84 NPY1R (0.36) MDM2NPY1R
SCHEMBL6833817 0.84 KHK (0.38) KHKADRB2ADRA2AHTR2CAXL
SCHEMBL6840146 0.82 DHODH (0.35) KHKADRB2ADRA2AHTR2CAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040054182-A1 1h-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2004-03-18 US disclosed
EP-1256582-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-11-13 EP 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-20040054182-A1 1h-imidazopyridine derivatives IL2, IL1A, IL4 HCRTR1 1779/4885HCRTR2 1929/4885MDM2 3359/4885

“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.