SCHEMBL3599379

SCHEMBL3599379

Cc1nc(-c2cccnc2)sc1C(=O)N1N=C(c2cccnc2)CC1c1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 1.00
▸ PKM P14618 1/20 0.66
▸ RAF1 P04049 1/20 0.60

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
SCHEMBL3598254 0.97 BRAF (1.00) BRAFPKMRAF1
SCHEMBL3601602 0.91 BRAF (1.00) BRAFPKMRAF1
SCHEMBL14138868 0.89 BRAF (0.79) BRAFPKMRAF1
SCHEMBL3597006 0.81 BRAF (0.68) BRAFPKM
SCHEMBL3599869 0.80 BRAF (1.00) BRAFPKMRAF1
SCHEMBL3594450 0.79 BRAF (0.68) BRAFPKM
SCHEMBL3602586 0.79 BRAF (0.69) BRAFPKM
SCHEMBL3593241 0.78 BRAF (1.00) BRAFPKMRAF1
SCHEMBL3586900 0.78 BRAF (0.88) BRAFRAF1
SCHEMBL3593218 0.78 BRAF (0.82) BRAFPKMRAF1

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 315/4885RAF1 55/4885

“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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