SCHEMBL2848934

SCHEMBL2848934

O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 1.00
▸ MAPK14 Q16539 12/20 1.00
▸ TNNI3K Q59H18 12/20 1.00
▸ BRAF P15056 10/20 1.00
▸ FLT3 P36888 3/20 0.75
▸ CDK8 P49336 2/20 0.66
▸ CSF1R P07333 2/20 0.65
▸ CDK7 P50613 1/20 0.63
▸ CDK6 Q00534 1/20 0.63

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
SCHEMBL25405811 0.90 KDR (0.81) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL2842603 0.87 KDR (0.78) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL3831817 0.87 KDR (0.77) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL17229953 0.85 FLT3 (1.00) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL2847973 0.85 KDR (0.74) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL2850437 0.84 KDR (0.73) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL3857809 0.84 KDR (0.73) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL3880675 0.84 MAPK14 (0.71) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL4548923 0.83 KDR (0.72) KDRMAPK14TNNI3KBRAFFLT3
SCHEMBL2850451 0.81 KDR (0.67) KDRMAPK14TNNI3KBRAFFLT3

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 16 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 claimed
US-20100324062-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-12-23 — — US claimed
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 — — US claimed
WO-2010056907-A2 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-20 — — WO claimed
EP-1940844-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-07-09 — — EP claimed
WO-2007053343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-05-10 — — WO claimed
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
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-05-27 — — 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 (2 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 KDR 209/4885MAPK14 303/4885TNNI3K 312/4885
US-20100130476-A1 COMPOUNDS THAT INDUCE PANCREATIC BETA-CELL EXPANSION IAPP, PNLIP, GPR119 KDR 4824/4885MAPK14 1692/4885TNNI3K 3345/4885

“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.

Send feedback