Sugi Predict

Sugi Predict / Compounds / SCHEMBL559575

SCHEMBL559575

SCHEMBL559575

Cc1cccc(NC(=O)c2ccc3cnc(N[C@H]4CC[C@H](O)CC4)nc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.53
▸ GRM5 P41594 6/20 0.50
▸ RAB9A P51151 4/20 0.47
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LCK P06239 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ JUN P05412 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ CCNE1 P24864 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2259332 1.00 NPC1 (0.53) NPC1GRM5RAB9APKMKMT2A
SCHEMBL558885 0.86 SMN1; SMN2 (0.48) NPC1RAB9APKMKMT2AMAPK10
SCHEMBL2255142 0.86 SMN1; SMN2 (0.48) NPC1RAB9APKMKMT2AMAPK10
SCHEMBL560324 0.82 CDK7 (0.55) MAPK10CCNE1CDK2MAPK1
SCHEMBL560325 0.82 CDK7 (0.55) MAPK10CCNE1CDK2MAPK1
SCHEMBL560159 0.82 MAPK1 (0.50) NPC1RAB9ACCNE1CDK2MAPK1
SCHEMBL560160 0.82 MAPK1 (0.50) NPC1RAB9ACCNE1CDK2MAPK1
SCHEMBL2257862 0.82 CCNE1 (0.47) MAPK10CCNE1CDK2MAPK1
SCHEMBL559327 0.82 CCNE1 (0.47) MAPK10CCNE1CDK2MAPK1
SCHEMBL559092 0.81 HPGDS (0.51) MAPK14MAPK10CCNE1CDK2MAPK1

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 NPC1 1040/4885GRM5 1490/4885RAB9A 1586/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 NPC1 1040/4885GRM5 1490/4885RAB9A 1586/4885

“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.