SCHEMBL3594568

SCHEMBL3594568

O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1N=C(c2cccnc2)CC1c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.58
▸ PKM P14618 1/20 0.58

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
SCHEMBL3598584 1.00 BRAF (0.58) BRAFPKM
SCHEMBL3593491 0.96 BRAF (0.59) BRAFPKM
SCHEMBL3593897 0.82 PKM (0.61) BRAFPKM
SCHEMBL3581967 0.80 BRAF (0.55) BRAFPKM
SCHEMBL3591111 0.78 BRAF (0.54) BRAFPKM
SCHEMBL3581353 0.78 BRAF (0.58) BRAFPKM
SCHEMBL3594701 0.78 BRAF (0.63) BRAFPKM
SCHEMBL3595716 0.78 BRAF (0.56) BRAFPKM
SCHEMBL3599496 0.77 BRAF (0.61) BRAFPKM
SCHEMBL3596236 0.76 PKM (0.69) 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 3 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-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 BRAF 123/4885PKM 315/4885

“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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