SCHEMBL2240958

SCHEMBL2240958

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C4CCC4)nn3-c3cc(Cl)cc(Cl)c3)cc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 15/20 0.56
KCNJ3 P48549 15/20 0.56
KCNJ5 P48544 13/20 0.56
RAF1 P04049 2/20 0.51
BRAF P15056 3/20 0.50
MAPK14 Q16539 1/20 0.47
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL2240721 0.98 KCNJ6 (0.58) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2246436 0.91 MAPK14 (0.59) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2242962 0.90 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2243108 0.90 MAPK14 (0.59) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2243948 0.89 KCNJ6 (0.55) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2242990 0.89 MAPK14 (0.48) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2243743 0.88 KCNJ6 (0.58) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2246430 0.87 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL2245642 0.86 KCNJ6 (0.60) KCNJ6KCNJ3KCNJ5RAF1BRAF
SCHEMBL4647983 0.83 KCNJ6 (0.66) KCNJ6KCNJ3KCNJ5BRAFMAPK14

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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US claimed
EP-2044053-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER Bayer Healthcare, LLC (US) 2009-04-08 EP claimed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 WO claimed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
US-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC 2011-08-11 US disclosed
WO-2007064872-A2 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE LLC (US) 2007-06-07 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-20110195110-A1 UREA COMPOUNDS USEFUL IN THE TREATMENT OF CANCER UMPS, SLC14A1, CPS1 KCNJ6 4292/4885KCNJ3 4108/4885KCNJ5 4069/4885

“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.