Sugi Predict

Sugi Predict / Compounds / SCHEMBL545653

SCHEMBL545653

SCHEMBL545653

Cc1ccc(C)n1-c1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ ADRB1 P08588 1/20 0.45
▸ MET P08581 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.41
▸ DGAT1 O75907 1/20 0.40
▸ SOAT1 P35610 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CSF1R P07333 3/20 0.39
▸ LYN P07948 2/20 0.39
▸ KIT P10721 1/20 0.39
▸ PHGDH O43175 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL12968839 0.84 ADRB1 (0.61) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL428031 0.81 ADRB1 (0.50) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL15077174 0.78 ADRB1 (0.54) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL18255830 0.78 ADRB1 (0.50) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL12968844 0.77 PHGDH (0.51) ALDH1A1ADRB1METSIRT6PHGDH
SCHEMBL24309491 0.76 ADRB1 (0.49) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL273503 0.76 ADRA2C (0.53) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL18277904 0.76 PHGDH (0.49) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL10104302 0.76 ADRB1 (0.45) ALDH1A1ADRB1METSIRT6DGAT1
SCHEMBL1101976 0.74 ALDH1A1 (0.74) ALDH1A1MAPTMAPK1HTTADRA2C

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 7 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

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 ALDH1A1 4226/4885ADRB1 2641/4885MET 2322/4885

“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.