Sugi Predict

Sugi Predict / Compounds / SCHEMBL966733

SCHEMBL966733

SCHEMBL966733

Cc1nn(C)c(-n2cc3ccccc3n2)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.40
▸ ERN1 O75460 1/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GALR3 O60755 1/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32

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
SCHEMBL963528 0.82 ALDH1A1 (0.50) HTTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL963529 0.82 ALDH1A1 (0.50) HTTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL27772701 0.73 PDE6D (0.35) SMN1; SMN2RAB9AALDH1A1NPC1MAPT
SCHEMBL965856 0.72 HTT (0.40) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL962424 0.71 PPARG (0.40) SMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL963508 0.71 HTT (0.42) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL963024 0.71 FGFR1 (0.46) HTTMAPTL3MBTL1KDM4EPOLB
SCHEMBL15329900 0.69 SMN1; SMN2 (0.36) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL15332392 0.69 SMN1; SMN2 (0.45) HTTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL19209467 0.68 ALDH1A1 (0.49) HTTERN1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 — — US disclosed
CN-101646653-A Fused ring compounds as partial agonists of ppar-gamma TAKEDA PHARMACEUTICAL JP 2010-02-10 — — CN disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 — — EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 — — WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 — — 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 HTT 3376/4885ERN1 4075/4885SMN1; SMN2 3745/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG HTT 3799/4885ERN1 3631/4885SMN1; SMN2 4710/4885

“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.