SCHEMBL2882091

SCHEMBL2882091

Nc1ccc(Oc2ncnc3[nH]ccc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.75
TTBK1 Q5TCY1 10/20 0.65
TTBK2 Q6IQ55 9/20 0.65
TNNI3K Q59H18 2/20 0.51
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
MAPK14 Q16539 1/20 0.49
JAK3 P52333 1/20 0.49

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
SCHEMBL30564544 1.00 TRPA1 (0.75) TRPA1TTBK1TTBK2TNNI3KBRAF
SCHEMBL12999346 0.82 TRPA1 (0.68) TRPA1TTBK1TTBK2TNNI3KBRAF
SCHEMBL26272206 0.80 TRPA1 (0.68) TRPA1TTBK1TTBK2TNNI3KBRAF
SCHEMBL2877656 0.80 TTBK1 (0.68) TRPA1TTBK1TTBK2TNNI3KBRAF
SCHEMBL25793164 0.80 TRPA1 (0.80) TRPA1TTBK1TTBK2TNNI3KBRAF
SCHEMBL29837326 0.80 TRPA1 (0.80) TRPA1TTBK1TTBK2TNNI3KBRAF
SCHEMBL30408172 0.79 JAK2 (0.59) TRPA1TTBK1TTBK2
SCHEMBL24881229 0.79 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL29261085 0.79 TRPA1 (0.66) TRPA1TTBK1TTBK2TNNI3KBRAF
SCHEMBL25405784 0.78 TRPA1 (0.61) TRPA1TTBK1TTBK2TNNI3KBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173480-A1 SELECTIVE CSF1R INHIBITOR AND USE THEREOF 中国科学院合肥物质科学研究院 2023-09-21 WO disclosed
WO-2023173480-A1 SELECTIVE CSF1R INHIBITOR AND USE THEREOF 中国科学院合肥物质科学研究院 2023-09-21 WO disclosed
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
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-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 TRPA1 3264/4885TTBK1 506/4885TTBK2 258/4885

“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.