SCHEMBL2997278

SCHEMBL2997278

CC(C)=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(=O)[nH]c(=O)n2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 12/20 0.43
HPGD P15428 7/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 5/20 0.41
ALOX15 P16050 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
GRK2 P25098 1/20 0.41
PTPN7 P35236 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL556560 0.85 DPP4 (0.49) MAPK1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL5719105 0.84 MAPK1 (0.60) MAPK1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL1457349 0.77 DPP4 (0.53) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5719100 0.74 ALDH1A1 (0.67) MAPK1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL637617 0.73 MAPK1 (0.54) MAPK1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL554976 0.73 MAPK1 (0.54) MAPK1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL555398 0.71 DPP4 (0.47) MAPK1MEN1KMT2AALDH1A1TSHR
SCHEMBL637379 0.71 ALDH1A1 (0.61) MAPK1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL3002051 0.71 ALDH1A1 (0.46) MAPK1MEN1CYP1A2CYP3A4KMT2A
SCHEMBL19013755 0.71 ALDH1A1 (0.46) MAPK1MEN1KMT2AALDH1A1TSHR

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-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20100173916-A1 Xanthine Derivatives, the Preparation Thereof and Their Use as Pharmaceutical Compositions DPP4, DPP3, DPP7 MAPK1 2427/4885MEN1 2867/4885CYP1A2 203/4885

“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.