SCHEMBL3658583

SCHEMBL3658583

CCOC(=O)c1nnc2c(-c3ccc(Cl)c(OC)c3)c(-c3ccncc3)nn2c1-c1ccc(Br)nc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.55
MAPT P10636 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JMJD6 Q6NYC1 1/20 0.36

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
SCHEMBL3652456 0.87 BRAF (0.53) BRAFMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL3654608 0.84 BRAF (0.52) BRAFMAPTTHRB
SCHEMBL3654972 0.82 BRAF (0.63) BRAFMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL3650505 0.80 BRAF (0.48) BRAFMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3656020 0.79 BRAF (0.59) BRAFMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL3654174 0.78 BRAF (0.58) BRAFMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL3655890 0.77 BRAF (0.75) BRAFMAPT
SCHEMBL1016142 0.76 BRAF (0.64) BRAFMAPT
SCHEMBL3656407 0.73 BRAF (0.73) BRAF
SCHEMBL3656624 0.72 BRAF (0.48) BRAFMAPTALDH1A1MAPK1SMN1; SMN2

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
EP-2203453-A1 PYRAZOLO[5, 1-C] [1,2,4]TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF Wyeth a Corporation of the State of Delaware (US) 2010-07-07 EP disclosed
WO-2009039387-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 WO disclosed
US-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF WYETH (US) 2009-03-26 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-20090082354-A1 PYRAZOLO[5, 1-C] [1,2,4] TRIAZINES, METHODS FOR PREPARATION AND USE THEREOF RAF1, BRAF, ARAF BRAF 2/4885MAPT 4370/4885ALDH1A1 1422/4885

“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.