Sugi Predict

Sugi Predict / Compounds / SCHEMBL558885

SCHEMBL558885

SCHEMBL558885

O=C(Nc1ccccn1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ SIRT2 Q8IXJ6 1/20 0.47
▸ FLT3 P36888 2/20 0.46
▸ TYRO3 Q06418 2/20 0.46
▸ MERTK Q12866 2/20 0.46
▸ GAS6 Q14393 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PKM P14618 2/20 0.45
▸ AXL P30530 1/20 0.45
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ NSD2 O96028 1/20 0.44
▸ BTK Q06187 2/20 0.43
▸ CSNK2A2 P19784 1/20 0.43

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
SCHEMBL2255142 1.00 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL2259332 0.86 NPC1 (0.53) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL559575 0.86 NPC1 (0.53) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL559328 0.84 HPGDS (0.48) FLT3TYRO3MERTKGAS6AXL
SCHEMBL2259374 0.84 HPGDS (0.48) FLT3TYRO3MERTKGAS6AXL
SCHEMBL2256994 0.83 FLT3 (0.54) KDM4EALDH1A1NPC1RAB9AFLT3
SCHEMBL558660 0.83 FLT3 (0.54) KDM4EALDH1A1NPC1RAB9AFLT3
SCHEMBL559092 0.83 HPGDS (0.51) CCNE1CDK2CSNK2A2CSNK2BMAPK8
SCHEMBL2263303 0.83 HPGDS (0.51) CCNE1CDK2CSNK2A2CSNK2BMAPK8
SCHEMBL558971 0.82 MAPK1 (0.55) CCNE1CDK2MAPK8

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 SMN1; SMN2 2141/4885KDM4E 2041/4885ALDH1A1 1098/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 SMN1; SMN2 2141/4885KDM4E 2041/4885ALDH1A1 1098/4885

“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.