SCHEMBL3596773

SCHEMBL3596773

COc1ccc(C2(C(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.63
▸ PKM P14618 2/20 0.61
▸ MAOA P21397 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL3583335 0.89 PKM (0.62) BRAFPKM
SCHEMBL3580356 0.78 BRAF (0.64) BRAFPKMMAOAMAOBKMT2A
SCHEMBL3593926 0.78 BRAF (1.00) BRAFPKMKMT2A
SCHEMBL3594427 0.77 BRAF (0.65) BRAFPKMMAOAMAOBKMT2A
SCHEMBL3602325 0.76 BRAF (0.62) BRAFPKMKMT2A
SCHEMBL3602336 0.76 BRAF (1.00) BRAFPKMKMT2A
SCHEMBL3598887 0.76 BRAF (0.73) BRAFPKMKMT2A
SCHEMBL3587214 0.75 PKM (0.63) BRAFPKM
SCHEMBL14138688 0.75 PKM (0.79) BRAFPKM
SCHEMBL3590983 0.74 PKM (0.62) BRAFPKM

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-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 — — US claimed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 — — US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 — — US disclosed
US-7795249-B2 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-14 — — US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 — — US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 — — US disclosed
US-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 — — US disclosed
WO-2008079277-A1 CERTAIN PYRAZOLINE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-03 — — 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-20080171754-A1 Certain pyrazoline derivatives with kinase inhibitory activity MAP3K5, MAP4K5, MAP3K20 BRAF 123/4885PKM 315/4885MAOA 1512/4885

“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.

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