SCHEMBL508513

SCHEMBL508513

COc1cccn2nc(C(NC(=O)OC3CCCC3)C3CC3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
HTR4 Q13639 1/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
BRD4 O60885 1/20 0.35
KCNA3 P22001 1/20 0.35
TSHR P16473 2/20 0.34
CACNA1B Q00975 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
JAK2 O60674 2/20 0.33
JAK3 P52333 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
SCHEMBL509745 0.82 SMPD3 (0.36) AAK1MAPTUSP2BRD4TSHR
SCHEMBL509372 0.76 PDE4D (0.55)
SCHEMBL508512 0.73 KCNA3 (0.43) BRD4KCNA3
SCHEMBL15071067 0.65 PDE4D (0.52)
SCHEMBL508287 0.64 PDE4D (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7040079 0.63 JAK2 (0.48) JAK2JAK3
SCHEMBL21059267 0.63 SMN1; SMN2 (0.68) TSHRSMN1; SMN2
SCHEMBL16339826 0.61 PDE4D (0.54) JAK2JAK3
SCHEMBL1854893 0.60 JAK2 (0.75) JAK2JAK3
SCHEMBL2251839 0.60 JAK2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379548-B1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA AS (DK) 2016-03-09 EP disclosed
US-8952162-B2 Triazolopyridines as phosphodiesterase inhibitors for treatment of dermal diseases LEO PHARMA A/S (DK) 2015-02-10 US disclosed
US-20120028974-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2012-02-02 US disclosed
EP-2379548-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2011-10-26 EP disclosed
WO-2010069322-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES LEO PHARMA A/S (DK) 2010-06-24 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-20120028974-A1 TRIAZOLOPYRIDINES AS PHOSPHODIESTERASE INHIBITORS FOR TREATMENT OF DERMAL DISEASES PDE4A, PDE4B, PDE5A PSEN1 2994/4885PSEN2 3688/4885APH1B 3247/4885

“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.