SCHEMBL14930461

SCHEMBL14930461

CCOC(=O)Cn1nc(C)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CYP2C9 P11712 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
SCHEMBL14930394 0.88 TSHR (0.47) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
SCHEMBL3170230 0.82 LMNA (0.64) MAPK1SMN1; SMN2CYP2C19ALDH1A1KDM4E
SCHEMBL26926832 0.81 MAPK1 (0.49) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
SCHEMBL14912696 0.80 MITF (0.51) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
SCHEMBL18730262 0.80 NPC1 (0.47) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
SCHEMBL15656246 0.79 ALDH1A1 (0.61) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
Hydrochloric Acid SCHEMBL21847655 0.78 ALDH1A1 (0.60) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
SCHEMBL22118978 0.78 TSHR (0.48) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
SCHEMBL29209544 0.77 TSHR (0.46) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1
SCHEMBL16978039 0.77 TSHR (0.47) MAPK1SMN1; SMN2CYP2C19TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 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-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 MAPK1 418/4885SMN1; SMN2 3164/4885CYP2C19 709/4885

“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.