SCHEMBL2877656

SCHEMBL2877656

O=[N+]([O-])c1ccc(Oc2ncnc3[nH]ccc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 8/20 0.68
TTBK2 Q6IQ55 8/20 0.68
TRPA1 O75762 5/20 0.64
TNNI3K Q59H18 2/20 0.48
BRAF P15056 1/20 0.47
KDR P35968 1/20 0.47
MAPK14 Q16539 1/20 0.47
JAK3 P52333 2/20 0.46
CSF1R P07333 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL30408294 0.82 JAK2 (0.55) TTBK1TTBK2TRPA1MEN1KMT2A
SCHEMBL30123191 0.81 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL2198300 0.80 TRPA1 (0.68) TTBK1TTBK2TRPA1TNNI3KMAPT
SCHEMBL30564544 0.80 TRPA1 (0.75) TTBK1TTBK2TRPA1TNNI3KBRAF
SCHEMBL2882091 0.80 TRPA1 (0.75) TTBK1TTBK2TRPA1TNNI3KBRAF
SCHEMBL1893699 0.78 TTBK1 (0.58) TTBK1TTBK2TNNI3KBRAFKDR
SCHEMBL29631643 0.78 TTBK1 (0.58) TTBK1TTBK2TNNI3KBRAFKDR
SCHEMBL12999346 0.78 TRPA1 (0.68) TTBK1TTBK2TRPA1TNNI3KBRAF
SCHEMBL4727429 0.75 KMT2A (0.56) TNNI3KBRAFKDRMAPK14MEN1
SCHEMBL29261085 0.75 TRPA1 (0.66) TTBK1TTBK2TRPA1TNNI3KBRAF

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-8592433-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 US disclosed
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 US disclosed
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 US disclosed
EP-1940844-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-30 EP disclosed
EP-1940844-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-07-09 EP disclosed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 WO disclosed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 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-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS SYK, SRC, FYN TTBK1 506/4885TTBK2 258/4885TRPA1 3264/4885

“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.