SCHEMBL13613449

SCHEMBL13613449

NC(=O)c1cnc(N)c2cc(-c3ccc(C(=O)N4CCOCC4)s3)sc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.66
JAK1 P23458 11/20 0.66
TYK2 P29597 11/20 0.66
JAK3 P52333 10/20 0.66
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
PDE4B Q07343 1/20 0.43
ERN1 O75460 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
SCHEMBL13613453 0.81 JAK2 (0.62) JAK2JAK1TYK2JAK3HPGD
SCHEMBL13613454 0.80 JAK2 (0.54) JAK2JAK1TYK2JAK3NPC1
SCHEMBL13606556 0.79 JAK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL13613448 0.77 JAK2 (0.55) JAK2JAK1TYK2JAK3
SCHEMBL5458391 0.76 JAK2 (0.75) JAK2JAK1TYK2JAK3
SCHEMBL13613447 0.76 JAK2 (0.54) JAK2JAK1TYK2JAK3
SCHEMBL13606548 0.76 JAK2 (0.68) JAK2JAK1TYK2JAK3
SCHEMBL4495900 0.74 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL13606501 0.73 JAK2 (0.65) JAK2JAK1TYK2JAK3
SCHEMBL13606546 0.73 JAK2 (0.70) JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635695-B2 Antiinflammation agents AMGEN INC. (US) 2009-12-22 US disclosed
US-20070155777-A1 Antiinflammation agents AMGEN, INC. 2007-07-05 US disclosed
US-7199119-B2 Antiinflammation agents AMGEN INC. (US) 2007-04-03 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-20070155777-A1 Antiinflammation agents TNF, NFATC1, NFKBIA JAK2 1101/4885JAK1 1726/4885TYK2 2825/4885

“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.