SCHEMBL1995098

SCHEMBL1995098

COc1nc(Cl)ncc1-c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.49
CYP11B2 P19099 8/20 0.49
CYP17A1 P05093 5/20 0.49
CYP19A1 P11511 3/20 0.49
CYP3A4 P08684 2/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
CYP2A6 P11509 4/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL30108242 0.76 CYP2A6 (0.50) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL30961426 0.75 CYP11B1 (0.40) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL2040093 0.75 ALDH1A1 (0.39) ALDH1A1GAAKDM4ESQOR
SCHEMBL7278707 0.74 CYP11B2 (0.50) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL2039228 0.74 MAP4K4 (0.46) RAB9ANPC1ALDH1A1PDGFRBPDGFRA
SCHEMBL4260073 0.73 ALDH1A1 (0.73) CYP11B1CYP11B2CYP17A1CYP19A1RAB9A
SCHEMBL28634847 0.73 CYP11B1 (0.56) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL30473695 0.72 PTGS1 (0.52) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4
SCHEMBL18322990 0.71 CD274 (0.45)
SCHEMBL25731603 0.71 CYP11B1 (0.47) CYP11B1CYP11B2CYP17A1CYP19A1CYP3A4

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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
US-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2013-08-22 US disclosed
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 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-20130216498-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 CYP11B1 1858/4885CYP11B2 1941/4885CYP17A1 4224/4885

“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.