Sugi Predict

Sugi Predict / Compounds / SCHEMBL2241146

SCHEMBL2241146

SCHEMBL2241146

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C4CCCC4)nn3-c3cc(Cl)cc(Cl)c3)cc2F)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 9/20 0.54
▸ KCNJ5 P48544 9/20 0.54
▸ KCNJ3 P48549 9/20 0.54
▸ KDR P35968 5/20 0.49
▸ BRAF P15056 6/20 0.48
▸ MAPK14 Q16539 3/20 0.48
▸ P2RX3 P56373 3/20 0.45
▸ RIPK2 O43353 2/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ RAF1 P04049 2/20 0.45
▸ RET P07949 2/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ PDGFRB P09619 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ KIT P10721 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ FLT1 P17948 2/20 0.45
▸ MAOA P21397 2/20 0.45

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
SCHEMBL2240373 0.99 KCNJ6 (0.54) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2244552 0.93 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2243117 0.92 KCNJ6 (0.53) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2243375 0.90 KCNJ6 (0.55) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2243108 0.90 MAPK14 (0.59) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2247780 0.89 KCNJ6 (0.55) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2246436 0.88 MAPK14 (0.59) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2243747 0.87 ABL1 (0.58) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2240618 0.85 ABL1 (0.58) KCNJ6KCNJ5KCNJ3KDRBRAF
SCHEMBL2244724 0.85 BRAF (0.66) KDRBRAFMAPK14P2RX3RIPK2

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 4292/4885KCNJ5 4069/4885KCNJ3 4108/4885

“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.