SCHEMBL4107604

SCHEMBL4107604

NC(=O)c1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.61
RIPK1 Q13546 1/20 0.53
CCNT1 O60563 1/20 0.51
CCND1 P24385 1/20 0.51
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
CDK7 P50613 1/20 0.51
CDK9 P50750 1/20 0.51
CCNH P51946 1/20 0.51
MNAT1 P51948 1/20 0.51
CDK6 Q00534 1/20 0.51
PIK3CA P42336 3/20 0.50
MTOR P42345 3/20 0.50
KIT P10721 2/20 0.49
KDR P35968 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAOB P27338 2/20 0.42
BCAT2 O15382 1/20 0.42
MAOA P21397 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL1366062 0.90 BRAF (0.62) BRAFRIPK1PIK3CAMTORKIT
SCHEMBL1369057 0.90 BRAF (0.62) BRAFRIPK1PIK3CAMTORKIT
SCHEMBL4114192 0.86 PIK3CA (0.55) BRAFRIPK1CCNT1CCND1CCNC
SCHEMBL1369483 0.86 BRAF (0.63) BRAFPIK3CAMTORKITKDR
SCHEMBL1368457 0.85 BRAF (0.57) BRAFPIK3CAMTORKITKDR
SCHEMBL1370776 0.84 RIPK1 (0.65) BRAFRIPK1CCNT1CCND1CCNC
SCHEMBL1366044 0.83 BRAF (0.58) BRAFCDK8PIK3CAMTORKIT
SCHEMBL4106117 0.82 BRAF (0.54) BRAFPIK3CAMTORKIT
SCHEMBL4274602 0.81 MAOB (0.65) HDAC8MAOBBCAT2MAOA
SCHEMBL1367284 0.81 BRAF (0.60) BRAFKDRMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP claimed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-13 WO claimed
US-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS HOFFMANN-LA ROCHE, INC. 2009-12-24 US disclosed
EP-2064213-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2009-06-03 EP disclosed
WO-2008028617-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 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-20090318428-A1 HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS MAP3K5, MAP3K1, PRKACA BRAF 35/4885RIPK1 546/4885CCNT1 1405/4885

“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.