SCHEMBL1995095

SCHEMBL1995095

C[C@H](Nc1cncc(-c2cnc3ccc(-c4ccncc4)cn23)n1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.47
LDHB P07195 1/20 0.47
CCNT1 O60563 1/20 0.46
CDK9 P50750 1/20 0.46
PIK3CA P42336 3/20 0.44
MTOR P42345 2/20 0.42
CLK1 P49759 4/20 0.42
ATP1A1 P05023 5/20 0.41
ATP1B1 P05026 5/20 0.41
ATP1A3 P13637 5/20 0.41
ATP1B2 P14415 5/20 0.41
ATP1A2 P50993 5/20 0.41
ATP1B3 P54709 5/20 0.41
FXYD2 P54710 5/20 0.41
ATP1A4 Q13733 5/20 0.41
GSK3B P49841 2/20 0.41
CHEK1 O14757 1/20 0.41
GAA P10253 1/20 0.40
LCK P06239 1/20 0.39
LATS1 O95835 1/20 0.39

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
SCHEMBL1994953 0.95 LDHA (0.52) LDHALDHBCCNT1CDK9PIK3CA
SCHEMBL1993107 0.91 LDHA (0.46) LDHALDHBCCNT1CDK9CLK1
SCHEMBL1997667 0.90 LDHA (0.48) LDHALDHBCCNT1CDK9PIK3CA
SCHEMBL1990664 0.87 FLT3 (0.52) LDHALDHBCCNT1CDK9CLK1
SCHEMBL12614041 0.84 LDHA (0.47) LDHALDHBCCNT1CDK9ATP1A1
SCHEMBL1995476 0.84 JAK2 (0.48) LDHALDHBCCNT1CDK9ATP1A1
SCHEMBL1994317 0.84 LDHA (0.47) LDHALDHBCCNT1CDK9ATP1A1
SCHEMBL1997719 0.84 LDHA (0.47) LDHALDHBCCNT1CDK9ATP1A1
SCHEMBL1996364 0.82 FLT3 (0.48) LDHALDHBCCNT1CDK9PIK3CA
SCHEMBL1997497 0.82 IRAK4 (0.50) LDHALDHBCCNT1CDK9ATP1A1

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 claimed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP claimed
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
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 LDHA 3822/4885LDHB 3917/4885CCNT1 653/4885

“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.