SCHEMBL20132633

SCHEMBL20132633

CC(C)c1ccnc(-c2cccc(-c3nnn[nH]3)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
TGFBR1 P36897 3/20 0.36
MAPKAPK2 P49137 3/20 0.32
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
JAK2 O60674 2/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL13524580 0.83 RXRA (0.42) CTSSCTSKJAK2
SCHEMBL12545623 0.83 RXRA (0.41) CTSSCTSK
SCHEMBL15344150 0.82 CYP2A6 (0.48) TGFBR1CYP2A6
SCHEMBL17234420 0.77 ATP1A1 (0.45) TGFBR1MAPKAPK2
SCHEMBL12761250 0.76 GP6 (0.37)
SCHEMBL17426496 0.76 TGFBR1 (0.43) PIM1TGFBR1MAPKAPK2CTSSCTSK
SCHEMBL18852462 0.75 MAP4K4 (0.34)
SCHEMBL23879673 0.73 BRD4 (0.47) PIM1TGFBR1MAPKAPK2CTSSCTSK
SCHEMBL14054103 0.73 ASIC3 (0.53) PIM1TGFBR1MAPKAPK2CYP2A6
SCHEMBL2609361 0.73 PIM1 (0.48) PIM1TGFBR1MAPKAPK2

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-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIM1 1335/4885TGFBR1 4545/4885MAPKAPK2 3165/4885

“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.