Sugi Predict

Sugi Predict / Compounds / SCHEMBL2078348

SCHEMBL2078348

SCHEMBL2078348

C[C@@H](O)CNc1nc(C2C(=O)Nc3ccc(Br)cc32)c2cn(C)nc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ GAA P10253 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ FLT3 P36888 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL2077944 1.00 USP2 (0.36) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2077943 1.00 USP2 (0.36) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2077833 0.90 USP2 (0.34) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2077775 0.90 USP2 (0.34) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2077783 0.90 USP2 (0.34) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2077748 0.88 USP2 (0.33) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2077751 0.88 USP2 (0.33) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2302033 0.88 USP2 (0.33) USP2ALDH1A1NQO2ADORA3ADORA1
SCHEMBL2300436 0.87 FLT3 (0.38) USP2ALDH1A1NQO2FLT3
SCHEMBL2300439 0.87 FLT3 (0.38) USP2ALDH1A1NQO2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 — — US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 — — US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 — — US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 — — US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 — — US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 — — US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 — — US disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 — — WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 — — US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 — — 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 (2 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 USP2 4580/4885ALDH1A1 1266/4885NQO2 266/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 USP2 4560/4885ALDH1A1 813/4885NQO2 277/4885

“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.