SCHEMBL15980686

SCHEMBL15980686

Cc1nc(C(C)C)ccc1-c1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
BRD9 Q9H8M2 1/20 0.42
BRD7 Q9NPI1 1/20 0.42
BRPF1 P55201 3/20 0.41
BRD4 O60885 2/20 0.41
CREBBP Q92793 1/20 0.40
TRIM24 O15164 1/20 0.36
BRD1 O95696 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL15984879 0.83 MAPK14 (0.48) MAPK14PDE3BPDE3ABRD9BRD7
SCHEMBL15980673 0.76 TRPA1 (0.49) BRD4CREBBP
SCHEMBL15980664 0.75 SLC9A1 (0.37) BRD9BRD7
SCHEMBL15980684 0.69 KDM5B (0.43) BRD4KDM4EHSD17B10ADORA2A
SCHEMBL15980671 0.69 GSK3B (0.51)
SCHEMBL15980676 0.69 TGFBR1 (0.34) PDE3BPDE3ABRD9BRD7BRD4
SCHEMBL15980659 0.69 SLC10A2 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL15980672 0.68 CLK4 (0.51)
SCHEMBL15980657 0.68 PSMB5 (0.42) KDM4EALDH1A1HSD17B10ADORA2AADORA2B
SCHEMBL15980603 0.67 BRD4 (0.40) BRD4

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-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK MAPK14 680/4885PDE3B 1062/4885PDE3A 1468/4885

“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.