SCHEMBL19059708

SCHEMBL19059708

O=C(Nc1cnc2cc[nH]c2c1-c1ccccccccc1)C1CCCCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
ADORA1 P30542 4/20 0.46
ADORA2A P29274 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CETP P11597 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
RXFP2 Q8WXD0 1/20 0.43

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
SCHEMBL22853567 1.00 HDAC3 (0.47) HDAC3HDAC1HDAC2ADORA1ADORA2A
SCHEMBL20368668 0.81 HDAC3 (0.51) HDAC3HDAC1HDAC2ADORA1ADORA2A
SCHEMBL22138697 0.81 HDAC3 (0.39) HDAC3HDAC1HDAC2ALDH1A1NPC1
SCHEMBL21157773 0.81 HDAC3 (0.44) HDAC3HDAC1HDAC2ALDH1A1NPC1
SCHEMBL20368588 0.81 HDAC3 (0.44) HDAC3HDAC1HDAC2ALDH1A1NPC1
SCHEMBL22018162 0.81 HDAC3 (0.44) HDAC3HDAC1HDAC2ALDH1A1NPC1
SCHEMBL20368587 0.81 HDAC3 (0.44) HDAC3HDAC1HDAC2ALDH1A1NPC1
SCHEMBL19059603 0.76 GSK3B (0.55) HDAC3HDAC1HDAC2ADORA1ADORA2A
SCHEMBL22019115 0.75 HDAC3 (0.49) HDAC3HDAC1HDAC2ADORA1ADORA2A
SCHEMBL22853620 0.75 HDAC3 (0.46) HDAC3HDAC1HDAC2ADORA1ADORA2A

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-9849120-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-12-26 US disclosed
US-20170182017-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2017-06-29 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-20170182017-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 HDAC3 487/4885HDAC1 359/4885HDAC2 532/4885

“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.