SCHEMBL3600995

SCHEMBL3600995

O=C(c1ccccc1)c1ccc(N2N=C(c3cccnc3)CC2c2ccccc2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.62
▸ BRAF P15056 17/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ TLR9 Q9NR96 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RAF1 P04049 1/20 0.52

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
SCHEMBL3592952 0.91 BRAF (0.62) PKMBRAFNPSR1
SCHEMBL3594537 0.89 PKM (0.63) PKMBRAFMEN1HSP90AA1KMT2A
SCHEMBL3595376 0.84 PKM (0.57) PKMBRAFMEN1HSP90AA1KMT2A
SCHEMBL3593583 0.82 PKM (0.64) PKMBRAFNPSR1
SCHEMBL3601159 0.79 PKM (0.59) PKMBRAF
SCHEMBL3594488 0.78 BRAF (0.64) PKMBRAFNPSR1
SCHEMBL3589989 0.78 BRAF (0.66) PKMBRAFNPSR1
SCHEMBL14138688 0.77 PKM (0.79) PKMBRAFRAF1
SCHEMBL28020452 0.76 EGFR (0.77) MEN1KMT2A
SCHEMBL3588600 0.75 BRAF (0.55) 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 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 PKM 315/4885BRAF 123/4885MEN1 2533/4885

“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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