SCHEMBL983534

SCHEMBL983534

OCCSc1ccccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.39
MAPK11 Q15759 1/20 0.39
MINK1 Q8N4C8 1/20 0.39
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPK14 Q16539 4/20 0.36
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
KDM4E B2RXH2 4/20 0.34
S100A4 P26447 2/20 0.33
CDC25A P30304 2/20 0.33
CDC25B P30305 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
MAP2K7 O14733 1/20 0.33

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
SCHEMBL10364834 0.88 PDE5A (0.39) FLT1MAPK11MINK1RAB9AALDH1A1
SCHEMBL24332597 0.86 FLT1 (0.43) FLT1MAPK11MINK1RAB9AALDH1A1
SCHEMBL14990751 0.85 MAPK14 (0.40) FLT1MAPK11MINK1MAPK14KDM4E
SCHEMBL15086681 0.84 PIM1 (0.36) FLT1MAPK11MINK1RAB9AALDH1A1
SCHEMBL4073505 0.80 MAPK14 (0.41) RAB9AALDH1A1NPC1SMN1; SMN2RXFP1
SCHEMBL981551 0.80 PIM1 (0.36) FLT1MAPK11MINK1RAB9AALDH1A1
SCHEMBL4071394 0.75 PDE5A (0.40) MAPK14PIM1PIM2CYP2D6MET
SCHEMBL4079295 0.74 MAPK14 (0.44) FLT1RAB9ANPC1SMN1; SMN2MAPK14
SCHEMBL4072097 0.73 HSD11B1 (0.49) RAB9AALDH1A1NPC1SMN1; SMN2MAPK14
SCHEMBL4076128 0.73 MAPK14 (0.44) MAPK14PIM1PIM2KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303267-B1 POLYMORPHIC FORM OF A [1, 2, 4] TRIAZOLO [4, 3-A]PYRIDINE DERIVATIVE FOR TREATING INFLAMMATORY DISEASES PFIZER LTD (GB) 2013-07-03 EP disclosed
EP-2303267-B1 POLYMORPHIC FORM OF A [1, 2, 4] TRIAZOLO [4, 3-A]PYRIDINE DERIVATIVE FOR TREATING INFLAMMATORY DISEASES PFIZER LTD (GB) 2013-07-03 EP disclosed
US-8222273-B2 Polymorphic form of a [1,2,4]triazole[4,3-A] pyridine derivative inflammatory diseases PFIZER LIMITED (GB) 2012-07-17 US disclosed
US-8222273-B2 Polymorphic form of a [1,2,4]triazole[4,3-A] pyridine derivative inflammatory diseases PFIZER LIMITED (GB) 2012-07-17 US disclosed
US-8222273-B2 Polymorphic form of a [1,2,4]triazole[4,3-A] pyridine derivative inflammatory diseases PFIZER LIMITED (GB) 2012-07-17 US disclosed
US-20110003848-A1 Polymorphic Form Of A [1,2,4]Triazole[4,3-A] Pyridine Derivative For Treating Inflammatory Diseases PFIZER LIMITED (GB) 2011-01-06 US disclosed
US-20110003848-A1 Polymorphic Form Of A [1,2,4]Triazole[4,3-A] Pyridine Derivative For Treating Inflammatory Diseases PFIZER LIMITED (GB) 2011-01-06 US disclosed
US-20110003848-A1 Polymorphic Form Of A [1,2,4]Triazole[4,3-A] Pyridine Derivative For Treating Inflammatory Diseases PFIZER LIMITED (GB) 2011-01-06 US disclosed
WO-2009098612-A2 POLYMORPHIC FORM OF A [1, 2, 4] TRIAZOLO [4, 3-A] PYRIDINE DERIVATIVE FOR TREATING INFLAMMATORY DISEASES PFIZER LIMITED (GB) 2009-08-13 WO 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-20110003848-A1 Polymorphic Form Of A [1,2,4]Triazole[4,3-A] Pyridine Derivative For Treating Inflammatory Diseases CYP1B1, UBE2V1, CYP4B1 FLT1 1543/4885MAPK11 2887/4885MINK1 2168/4885

“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.