SCHEMBL3600975

SCHEMBL3600975

COc1ccc(OC)c(C(=O)c2ccc(NC(=O)N3N=C(c4cccnc4)CC3c3ccccc3O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 15/20 0.55
▸ PKM P14618 2/20 0.54
▸ MAOA P21397 2/20 0.51
▸ MAOB P27338 1/20 0.51
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL3580356 0.86 BRAF (0.64) BRAFPKMMAOAMAOB
SCHEMBL3593583 0.84 PKM (0.64) BRAFPKMMAOB
SCHEMBL3586607 0.82 BRAF (0.63) BRAFPKMMAOAMAOB
SCHEMBL14138578 0.81 CYP2C9 (0.41) BRAFPOLBMAPK1ATM
SCHEMBL3595658 0.81 BRAF (0.71) BRAFPKMMAOAMAOB
SCHEMBL3585431 0.81 PKM (0.67) BRAFPKMMAOAMAOB
SCHEMBL3588851 0.80 PKM (0.55) BRAFPKM
SCHEMBL3596236 0.80 PKM (0.69) BRAFPKM
SCHEMBL3599785 0.80 PKM (0.54) BRAFPKM
SCHEMBL3601799 0.80 PKM (0.60) BRAFPKMMAOAMAOB

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 7 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

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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