Sugi Predict

Sugi Predict / Compounds / SCHEMBL558425

SCHEMBL558425

SCHEMBL558425

Cc1nnc(NC(=O)c2cccc3cnc(N[C@H]4CC[C@H](O)CC4)nc23)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 5/20 0.52
▸ JUN P05412 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MAPK8 P45983 6/20 0.41
▸ MAPK9 P45984 5/20 0.41
▸ MERTK Q12866 6/20 0.40
▸ AXL P30530 4/20 0.40
▸ TYRO3 Q06418 4/20 0.40
▸ SYK P43405 1/20 0.38
▸ IRAK1 P51617 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ GAS6 Q14393 2/20 0.38
▸ MAPK3 P27361 1/20 0.37

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
SCHEMBL2262164 1.00 MAPK10 (0.52) MAPK10JUNKDM4EALDH1A1LMNA
SCHEMBL2256609 0.85 JUN (0.50) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL559371 0.85 JUN (0.50) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL559961 0.84 JUN (0.48) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL2260644 0.84 JUN (0.48) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL558248 0.82 MAPK10 (0.58) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL2257727 0.82 MAPK10 (0.58) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL558909 0.82 MAPK10 (0.58) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL2256966 0.82 MAPK10 (0.58) MAPK10JUNMAPK8MAPK9MERTK
SCHEMBL2255188 0.81 MAPK10 (0.49) MAPK10JUNMAPK8MAPK9MERTK

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 MAPK10 32/4885JUN 36/4885KDM4E 2041/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK10 32/4885JUN 36/4885KDM4E 2041/4885

“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.