SCHEMBL6480937

SCHEMBL6480937

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc4c(c3)CCC4)c(Cl)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 8/20 0.57
NPC1 O15118 7/20 0.53
RAB9A P51151 7/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDR P35968 3/20 0.47
RIPK2 O43353 2/20 0.47
ABCB11 O95342 2/20 0.47
ABL1 P00519 2/20 0.47
RET P07949 2/20 0.47
HTR1A P08908 2/20 0.47
PDGFRB P09619 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
KIT P10721 2/20 0.47
FGFR1 P11362 2/20 0.47
BRAF P15056 2/20 0.47
PDGFRA P16234 2/20 0.47
FLT1 P17948 2/20 0.47

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
SCHEMBL6383539 0.89 RAF1 (0.60) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL6383620 0.89 RAF1 (0.60) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL6386619 0.86 RAF1 (0.54) RAF1MEN1KMT2AKDRRIPK2
SCHEMBL13363799 0.85 KDR (0.57) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL6382308 0.82 RAF1 (0.55) RAF1MEN1KMT2AKDRRIPK2
SCHEMBL6473481 0.80 MEN1 (0.55) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL6383573 0.78 RAF1 (0.54) RAF1MEN1KMT2AKDRRIPK2
SCHEMBL6473807 0.78 RAF1 (0.67) RAF1NPC1RAB9AMEN1KMT2A
SCHEMBL6383503 0.77 RAF1 (0.53) RAF1MEN1KMT2AKDRRIPK2
SCHEMBL6473119 0.77 RAF1 (0.66) RAF1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US claimed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US claimed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US 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-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 RAF1 1822/4885NPC1 2053/4885RAB9A 2455/4885

“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.