SCHEMBL13529088

SCHEMBL13529088

CCc1cccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.70
CDK8 P49336 3/20 0.61
KDR P35968 4/20 0.60
RET P07949 2/20 0.60
MEN1 O00255 1/20 0.60
PLK4 O00444 1/20 0.60
CIT O14578 1/20 0.60
AURKA O14965 1/20 0.60
MUSK O15146 1/20 0.60
EPHB6 O15197 1/20 0.60
MAPK13 O15264 1/20 0.60
MLNR O43193 1/20 0.60
MAP3K7 O43318 1/20 0.60
RIPK2 O43353 1/20 0.60
DYRK3 O43781 1/20 0.60
PDE6D O43924 1/20 0.60
NR1I2 O75469 1/20 0.60
STK10 O94804 1/20 0.60
CDK14 O94921 1/20 0.60
ABCB11 O95342 1/20 0.60

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
SCHEMBL16628075 0.90 RAF1 (0.67) RAF1CDK8KDRRETMEN1
SCHEMBL13547754 0.87 RAF1 (0.66) RAF1CDK8RETMEN1BRAF
SCHEMBL13524681 0.86 RAF1 (0.74) RAF1CDK8KDRRETMEN1
SCHEMBL13556629 0.85 RAF1 (0.72) RAF1CDK8KDRRETMEN1
SCHEMBL19668099 0.85 RAF1 (0.80) RAF1CDK8KDRRETMEN1
SCHEMBL12310641 0.83 KDR (0.76) KDRMEN1CA7KMT2ACA9
SCHEMBL6014335 0.83 RAF1 (0.79) RAF1CDK8KDRFLT1EPHX2
SCHEMBL13529051 0.82 RAF1 (1.00) RAF1CDK8KDRRETMEN1
SCHEMBL938819 0.82 KDR (0.70) RAF1CDK8KDRRETMEN1
SCHEMBL16628055 0.82 RAF1 (0.63) RAF1CDK8KDRRETMEN1

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-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 US disclosed
US-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS CANNIZZARO CARINA 2009-07-16 US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 US disclosed
US-7417055-B2 Kinase inhibitory phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-08-26 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 (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-20090181930-A1 KINASE INHIBITORY PHOSPHONATE ANALOGS PIK3CA, PNKP, PIK3CB RAF1 320/4885CDK8 182/4885KDR 860/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN RAF1 1304/4885CDK8 170/4885KDR 1628/4885

“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.