Sugi Predict

Sugi Predict / Compounds / SCHEMBL560215

SCHEMBL560215

SCHEMBL560215

O=C(Nc1cc(-c2ccccc2)[nH]n1)c1cccc2cnc(N[C@H]3CC[C@H](O)CC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ JUN P05412 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ ADORA1 P30542 4/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ ADORA2B P29275 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL560216 1.00 ALPL (0.51) ALPLALPINPC1RAB9AJUN
SCHEMBL558851 0.86 CCNA2 (0.52) JUNMAPK10HPGDS
SCHEMBL2262273 0.86 CCNA2 (0.52) JUNMAPK10HPGDS
SCHEMBL559723 0.84 PRKAB2 (0.55) JUNMAPK10ADORA1ADORA2AADORA2B
SCHEMBL559569 0.82 MAPK10 (0.52) JUNMAPK10ADORA1ADORA2AADORA2B
SCHEMBL2263545 0.82 MAPK10 (0.52) JUNMAPK10ADORA1ADORA2AADORA2B
SCHEMBL2259620 0.81 MAPK10 (0.50) NPC1RAB9AJUNMAPK10ADORA1
SCHEMBL558797 0.81 MAPK10 (0.50) NPC1RAB9AJUNMAPK10ADORA1
SCHEMBL2261347 0.78 MAPK10 (0.54) JUNMAPK10ADORA1ADORA2AADORA2B
SCHEMBL559829 0.78 MAPK10 (0.54) JUNMAPK10ADORA1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ALPL 4135/4885ALPI 741/4885NPC1 1040/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ALPL 4135/4885ALPI 741/4885NPC1 1040/4885

“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.