SCHEMBL10364834

SCHEMBL10364834

CCCSc1ccccc1-c1nnc2ccc(Br)cn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.39
MAPK14 Q16539 3/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
DRD2 P14416 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSD A5PKW4 1/20 0.33
FLT1 P17948 1/20 0.33
MAPK11 Q15759 1/20 0.33
MINK1 Q8N4C8 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
SCHEMBL983534 0.88 FLT1 (0.39) MAPK14PIM1PIM2KDM4EALDH1A1
SCHEMBL15086681 0.84 PIM1 (0.36) PDE5AMAPK14PIM1PIM2KDM4E
SCHEMBL4073505 0.83 MAPK14 (0.41) MAPK14PIM1PIM2KDM4EALDH1A1
SCHEMBL981551 0.82 PIM1 (0.36) PDE5AMAPK14PIM1PIM2KDM4E
SCHEMBL4071394 0.80 PDE5A (0.40) PDE5AMAPK14PIM1PIM2
SCHEMBL10364829 0.78 FLT1 (0.46) MAPK14FLT1MAPK11MINK1
SCHEMBL10363175 0.78 FLT1 (0.42) PDE5AMAPK14FLT1MAPK11MINK1
SCHEMBL4079295 0.77 MAPK14 (0.44) PDE5AMAPK14PIM1PIM2POLB
SCHEMBL24332597 0.76 FLT1 (0.43) MAPK14KDM4EALDH1A1HSD17B10RAB9A
SCHEMBL4070456 0.73 MAPK14 (0.37) PDE5AMAPK14PIM1PIM2ALDH1A1

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-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

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 PDE5A 1450/4885MAPK14 2259/4885PIM1 2782/4885

“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.