SCHEMBL986735

SCHEMBL986735

Nc1cnc2[nH]c(-c3cccc(Br)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
TP53 P04637 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL987245 0.84 MMP2 (0.52) HDAC6MEN1KMT2AGAAUSP2
SCHEMBL986878 0.84 ALDH1A1 (0.54) MEN1KMT2AGAAUSP2POLB
SCHEMBL984463 0.83 HRH1 (0.48) HRH1MEN1KMT2AGAAUSP2
SCHEMBL986608 0.80 CYP1A2 (0.53) HRH1HRH4MEN1KMT2AHSD17B10
SCHEMBL5621043 0.79 ALDH1A1 (0.54) MEN1KMT2AGAAUSP2POLB
SCHEMBL4479039 0.79 KDM4E (0.57) MEN1KMT2AGAAUSP2POLB
SCHEMBL987203 0.79 MAPT (0.60) MEN1KMT2APOLBHSD17B10KDM4E
SCHEMBL31022757 0.78 HDAC3 (0.47) HRH1HRH4HDAC3HDAC1HDAC2
SCHEMBL984237 0.78 MMP13 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL986206 0.77 XDH (0.48) MEN1KMT2AGAAUSP2POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF HRH1 1926/4885HRH4 2296/4885HDAC3 2220/4885

“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.