Sugi Predict

Sugi Predict / Compounds / SCHEMBL545378

SCHEMBL545378

SCHEMBL545378

Cc1ccc(C)n1-c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ PHGDH O43175 1/20 0.38
▸ PTGER1 P34995 2/20 0.37
▸ NR4A1 P22736 1/20 0.37
▸ GSR P00390 2/20 0.36
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ NPY5R Q15761 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ XPO1 O14980 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
SCHEMBL24270001 0.80 NR4A1 (0.47) NR4A1KDM4EMEN1ALDH1A1MAPT
SCHEMBL545433 0.77 AR (0.45) NOTUMNR4A1GSRPTGS2MEN1
SCHEMBL14493485 0.76 NR4A1 (0.35) NOTUMPTGER1NR4A1GSRPTGS2
SCHEMBL6315486 0.74 NOTUM (0.59) NOTUMNR4A1GSRKDM4EMEN1
SCHEMBL545653 0.72 ALDH1A1 (0.46) PHGDHKDM4EMEN1ALDH1A1MAPT
SCHEMBL5120325 0.71 ALKBH5 (0.43) NOTUMNR4A1TAS2R14KDM4EMEN1
SCHEMBL27732522 0.71 NOTUM (0.36) NOTUMNR4A1GSRPTGS2KDM4E
SCHEMBL1082212 0.71 NOTUM (0.50) NOTUMTAS2R14ALDH1A1ALOX15S1PR1
SCHEMBL131138 0.71 NOTUM (0.50) NOTUMTAS2R14ALDH1A1MAPTS1PR1
SCHEMBL31026307 0.70 NOTUM (0.47) NOTUMPHGDHTAS2R14ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 — — US disclosed
CN-101365682-A Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARM INC (US) 2009-02-11 — — CN disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 — — US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 — — WO 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 NOTUM 1789/4885PHGDH 1488/4885PTGER1 2029/4885

“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.