SCHEMBL5123391

SCHEMBL5123391

CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3cc(OC)c(OC)cc3Cl)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 5/20 0.53
BRAF P15056 3/20 0.53
CSF1R P07333 1/20 0.47
KDR P35968 2/20 0.46
DDR2 Q16832 1/20 0.46
RET P07949 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL14266603 0.92 CSF1R (0.49) RAF1BRAFCSF1RKDRDDR2
SCHEMBL14266579 0.90 CSF1R (0.49) RAF1BRAFCSF1RKDRMAPT
SCHEMBL14266542 0.89 DDR2 (0.51) RAF1BRAFCSF1RKDRDDR2
SCHEMBL5128896 0.89 DNMT3A (0.54) RAF1BRAFCSF1RKDRDDR2
SCHEMBL5116608 0.88 BRAF (0.55) RAF1BRAFCSF1RKDRDDR2
SCHEMBL3991259 0.88 BRAF (0.48) RAF1BRAFCSF1RKDRDDR2
SCHEMBL5115902 0.88 CSF1R (0.48) RAF1BRAFCSF1RKDRDDR2
SCHEMBL3989068 0.88 BRAF (0.55) RAF1BRAFCSF1RKDRDDR2
SCHEMBL3985943 0.87 BRAF (0.56) RAF1BRAFCSF1RKDRDDR2
SCHEMBL14266575 0.87 BRAF (0.54) RAF1BRAFKDRDDR2RET

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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 RAF1 251/4885BRAF 242/4885CSF1R 2904/4885

“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.