SCHEMBL15980679

SCHEMBL15980679

Cc1nc(C(C)C)ccc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.40
PDE3A Q14432 11/20 0.40
AAK1 Q2M2I8 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
GSK3B P49841 2/20 0.35
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
NSD3 Q9BZ95 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34

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
SCHEMBL15980657 0.83 PSMB5 (0.42) LMNAMAPT
SCHEMBL15980680 0.80 CYP17A1 (0.35) PDE3BPDE3AAAK1AKR1C3AKR1C2
SCHEMBL15980662 0.77 KDM5B (0.36)
SCHEMBL15980670 0.77 KDM5B (0.38)
SCHEMBL15984750 0.76 NPC1 (0.44) PDE3BPDE3ALMNAMAPTMEN1
SCHEMBL15980660 0.75 RXRA (0.42) MEN1KMT2A
SCHEMBL15980684 0.75 KDM5B (0.43)
SCHEMBL15980685 0.75 LTA4H (0.40)
SCHEMBL19863972 0.75 NPC1 (0.46) PDE3BPDE3ALMNAMAPTGSK3B
SCHEMBL15980667 0.74 MAPT (0.39) MAPTMEN1KMT2A

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 PDE3B 1062/4885PDE3A 1468/4885AAK1 427/4885

“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.