Sugi Predict

Sugi Predict / Compounds / SCHEMBL4018468

SCHEMBL4018468

SCHEMBL4018468

CCc1c(-c2cn(-c3cc(N)ccc3C)cn2)cnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A3 Q92570 1/20 0.39
▸ NPC1 O15118 7/20 0.37
▸ RAB9A P51151 7/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ MAPK14 Q16539 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ C1S P09871 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 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
SCHEMBL4015967 0.85 MAPK14 (0.47) NR4A3NPC1RAB9AALDH1A1HPGD
SCHEMBL4035781 0.82 MAPK14 (0.51) NR4A3RAB9AALDH1A1MAPTMAPK14
SCHEMBL28764746 0.76 NR4A3 (0.48) NR4A3NPC1RAB9AALDH1A1HPGD
SCHEMBL4014620 0.72 NPC1 (0.46) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL302056 0.71 TP53 (0.46) KMT2AALDH1A1HPGDMAPTCYP1A2
SCHEMBL4031354 0.71 MAPK14 (0.39) MAPK14
SCHEMBL4021282 0.69 NPC1 (0.39) NPC1RAB9AKMT2AALDH1A1TSHR
SCHEMBL28980187 0.67 ALDH1A1 (0.49) KMT2AALDH1A1MAPTTSHRCYP1A2
SCHEMBL18265951 0.67 NR4A3 (0.61) NR4A3NPC1RAB9AKMT2AALDH1A1
SCHEMBL17610398 0.66 NR4A3 (0.59) NR4A3NPC1RAB9AKMT2AALDH1A1

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-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 — — US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 — — US disclosed
US-7531560-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-05-12 — — US disclosed
US-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-05-11 — — 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 (1 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-20060100204-A1 Heterocyclic-substituted benzamide derivatives, e.g., benzyl [2-(4-{1-[5-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazol-4-yl}-2-phenyl-2H-pyrazol-3-yl)-ethyl]-carbamate; inhibit production of cytokines; useful for treating chronic inflammatory disease. NFKBIA, CHUK, IL1B NR4A3 730/4885NPC1 1938/4885RAB9A 1991/4885

“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.