SCHEMBL987958

SCHEMBL987958

O=[N+]([O-])c1cnc2[nH]c(C3CC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
RIPK1 Q13546 1/20 0.40
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PARG Q86W56 1/20 0.36
HTT P42858 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
TXN P10599 1/20 0.35

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
SCHEMBL986539 0.77 ALDH1A1 (0.46) ALDH1A1RAB9AMEN1KMT2AHTT
SCHEMBL12778102 0.77 ALDH1A1 (0.46) ALDH1A1RAB9AMEN1KMT2AHTT
SCHEMBL3576328 0.77 ALDH1A1 (0.52) ALDH1A1RIPK1RAB9AMEN1KMT2A
SCHEMBL24565557 0.74 NPC1 (0.44) ALDH1A1RAB9APARG
SCHEMBL6950675 0.74 DYRK1A (0.38) ALDH1A1RAB9A
SCHEMBL987737 0.74 MAPT (0.43) ALDH1A1RAB9APARG
SCHEMBL7035367 0.74 ALDH1A1 (0.61) ALDH1A1RIPK1RAB9AMEN1KMT2A
SCHEMBL986424 0.72 GAA (0.51) ALDH1A1RIPK1MEN1KMT2AHTT
SCHEMBL986055 0.72 ALDH1A1 (0.42) ALDH1A1RIPK1RAB9AMEN1KMT2A
SCHEMBL3586363 0.72 PKM (0.42) ALDH1A1RIPK1MEN1KMT2AHTT

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 ALDH1A1 1091/4885RIPK1 894/4885RAB9A 752/4885

“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.