SCHEMBL2240645

SCHEMBL2240645

CNC(=O)c1cc(Oc2ccc(N(C(N)=O)c3cc(C4CCCC4)nn3-c3cc(F)cc(F)c3)cc2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.42
RAF1 P04049 4/20 0.42
CSF1R P07333 7/20 0.42
KDR P35968 2/20 0.40
NFKB1 P19838 2/20 0.40
NR2C2 P49116 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
TAB1 Q15750 2/20 0.40
MAPK14 Q16539 1/20 0.40
EPHX2 P34913 2/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT3 P36888 1/20 0.39
MET P08581 1/20 0.39
HIPK4 Q8NE63 2/20 0.38
DDR2 Q16832 1/20 0.38

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
SCHEMBL2246414 0.98 CSF1R (0.42) BRAFRAF1CSF1RKDRNFKB1
SCHEMBL2246305 0.92 RAF1 (0.43) BRAFRAF1CSF1RKDRNFKB1
SCHEMBL2246431 0.90 KDR (0.42) BRAFRAF1CSF1RKDRNFKB1
SCHEMBL2244107 0.90 BRAF (0.40) BRAFRAF1CSF1RKDRNFKB1
SCHEMBL2247968 0.88 CSF1R (0.40) BRAFRAF1CSF1RKDRNFKB1
SCHEMBL2244176 0.88 BRAF (0.44) BRAFRAF1CSF1RKDRNFKB1
SCHEMBL2243488 0.86 BRAF (0.44) BRAFRAF1CSF1RKDRNFKB1
SCHEMBL2241177 0.83 MAPK14 (0.43) BRAFRAF1CSF1RKDRMAPK14
SCHEMBL2243887 0.83 HRH3 (0.36) RAF1CSF1RKDRMAPK14
SCHEMBL2241233 0.82 BRAF (0.42) BRAFRAF1CSF1RKDRNFKB1

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 1 patent. 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

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 BRAF 338/4885RAF1 860/4885CSF1R 4428/4885

“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.