SCHEMBL15980657

SCHEMBL15980657

Cc1nc(C(C)C)ccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 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
SCHEMBL15980679 0.83 PDE3B (0.40) MAPTLMNA
SCHEMBL15980660 0.80 RXRA (0.42) KDM4EALDH1A1HTTTDP1
SCHEMBL15980662 0.79 KDM5B (0.36) HSD17B10ALDH1A1GCGR
SCHEMBL15980661 0.78 AKR1C3 (0.53)
SCHEMBL15980680 0.78 CYP17A1 (0.35) CYP2A6
SCHEMBL14975651 0.76 PSMB5 (0.49) PSMB5L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL10262765 0.75 PSMB5 (0.47) PSMB5L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL4407012 0.75 ALDH1A1 (0.48) PSMB5L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL19902075 0.75 HTT (0.44) L3MBTL1CYP1A2HPGDHSD17B10KDM4E
SCHEMBL15980667 0.75 MAPT (0.39) NPSR1ALDH1A1MAPTADORA2AADORA1

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 PSMB5 2388/4885L3MBTL1 4080/4885CYP1A2 1640/4885

“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.