Sugi Predict

Sugi Predict / Compounds / SCHEMBL715086

SCHEMBL715086

SCHEMBL715086

Cc1cccc2cc([C@H](C)N[S@+]([O-])C(C)(C)C)c(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PIK3CD O00329 1/20 0.36
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ATM Q13315 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDR P35968 8/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2117032 1.00 DRD4 (0.39) DRD4DRD3L3MBTL1PIK3CDMAPT
SCHEMBL713474 0.89 PIK3CD (0.36) PIK3CD
SCHEMBL2114281 0.89 PIK3CD (0.36) PIK3CD
SCHEMBL713475 0.89 PIK3CD (0.36) PIK3CD
SCHEMBL2114279 0.89 PIK3CD (0.36) PIK3CD
SCHEMBL716039 0.87 ALDH1A1 (0.31) —
SCHEMBL29869127 0.87 PIK3CD (0.32) PIK3CD
SCHEMBL716038 0.87 ALDH1A1 (0.31) —
SCHEMBL19344362 0.87 PIK3CD (0.32) PIK3CD
SCHEMBL22158971 0.81 EGFR (0.40) L3MBTL1PIK3CDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 — — US disclosed
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-03-29 — — US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 — — US disclosed
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA, S.A. (BE) 2011-05-05 — — 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 (4 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 DRD4 4169/4885DRD3 2337/4885L3MBTL1 2277/4885
US-20120077815-A1 Fused Pyridine And Pyrazine Derivatives As Kinase Inhibitors PDPK1, PDXK, PIK3CA DRD4 3866/4885DRD3 3466/4885L3MBTL1 3865/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA DRD4 4386/4885DRD3 2871/4885L3MBTL1 4171/4885
US-20110105508-A1 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS PDXK, PDPK1, PIKFYVE DRD4 3720/4885DRD3 2440/4885L3MBTL1 3240/4885

“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.