SCHEMBL13185690

SCHEMBL13185690

O=CN1N=C(c2cccnc2)CC1c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 14/20 0.54
▸ KIF11 P52732 1/20 0.50
▸ PKM P14618 1/20 0.46
▸ PRKCZ Q05513 2/20 0.41

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
SCHEMBL14138529 0.80 PKM (0.66) BRAFPKM
SCHEMBL3594975 0.71 BRAF (1.00) BRAF
SCHEMBL7461031 0.68 MAOB (0.73) KIF11
SCHEMBL9383200 0.65 MAPT (0.74) BRAF
SCHEMBL1026845 0.65 CYP11B1 (0.68) —
SCHEMBL30295066 0.65 CYP11B1 (0.68) —
SCHEMBL29567050 0.65 CYP11B1 (0.68) —
SCHEMBL3613412 0.64 KIF11 (0.79) KIF11
Bromide SCHEMBL7553957 0.63 CYP11B1 (0.66) —
SCHEMBL28168148 0.63 SIGMAR1 (0.44) —

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 2 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-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 123/4885KIF11 1778/4885PKM 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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