Sugi Predict

Sugi Predict / Compounds / SCHEMBL3233222

SCHEMBL3233222

SCHEMBL3233222

CCN(c1nc(-c2ccccc2)c2ccc(=O)n(-c3ccc(C(F)(F)F)cc3)c2n1)C(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ MAT2A P31153 1/20 0.34
▸ CXCR3 P49682 4/20 0.34
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PPARG P37231 2/20 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
SCHEMBL3229356 0.91 MEN1 (0.35) ALDH1A1MEN1USP2CYP1A2CYP3A4
SCHEMBL3221957 0.90 CYP1A2 (0.39) ALDH1A1MEN1USP2CYP1A2CYP3A4
SCHEMBL3216354 0.88 CNR1 (0.37) ALDH1A1MEN1CYP3A4KMT2AMAT2A
SCHEMBL3224069 0.88 PTGS2 (0.35) PPARGCRHR1
SCHEMBL3227578 0.88 TRPA1 (0.35) ALDH1A1MEN1USP2CYP1A2CYP3A4
SCHEMBL3230739 0.86 TRPV1 (0.40) MAT2ACXCR3GAATRPV1PPARG
SCHEMBL3228078 0.85 CRHR1 (0.34) MAT2ACXCR3TRPV1PPARGCRHR1
SCHEMBL3229360 0.79 CXCR3 (0.36) ALDH1A1MEN1USP2CYP1A2CYP3A4
SCHEMBL3221968 0.78 TRPA1 (0.37) ALDH1A1MEN1USP2CYP1A2CYP3A4
SCHEMBL3216362 0.78 CNR1 (0.38) ALDH1A1MEN1CYP3A4KMT2AMAT2A

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-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 — — US disclosed
US-7479558-B2 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2009-01-20 — — US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 — — US disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 — — 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 (3 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 ALDH1A1 865/4885MEN1 3164/4885USP2 4259/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 ALDH1A1 366/4885MEN1 2212/4885USP2 4284/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 ALDH1A1 4413/4885MEN1 4262/4885USP2 2790/4885

“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.