SCHEMBL13167774

SCHEMBL13167774

Cc1nnc(N[S+]([O-])c2ccc(NC(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.53
▸ BRAF P15056 19/20 0.51
▸ RAF1 P04049 1/20 0.46

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
SCHEMBL13167785 0.87 PKM (0.56) PKMBRAFRAF1
SCHEMBL3593376 0.86 PKM (0.54) PKMBRAFRAF1
SCHEMBL13167782 0.84 PKM (0.53) PKMBRAF
SCHEMBL3585431 0.80 PKM (0.67) PKMBRAF
SCHEMBL3596236 0.80 PKM (0.69) PKMBRAF
SCHEMBL3593583 0.78 PKM (0.64) PKMBRAF
SCHEMBL3595578 0.78 BRAF (0.63) PKMBRAFRAF1
SCHEMBL13167773 0.77 PKM (0.65) PKMBRAF
SCHEMBL3586607 0.77 BRAF (0.63) PKMBRAF
SCHEMBL3595658 0.76 BRAF (0.71) PKMBRAF

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-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

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 PKM 315/4885BRAF 123/4885RAF1 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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