SCHEMBL4831494

SCHEMBL4831494

CN(C)Cc1cc(Cl)nc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
BTK Q06187 4/20 0.37
ITK Q08881 3/20 0.37
CDK2 P24941 3/20 0.36
ROCK2 O75116 3/20 0.36
CDC7 O00311 2/20 0.36
GSK3B P49841 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
PRKACA P17612 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
TNIK Q9UKE5 1/20 0.36
DYRK1A Q13627 3/20 0.35
CCNT1 O60563 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK9 P50750 2/20 0.35
PDPK1 O15530 4/20 0.34
NTRK1 P04629 2/20 0.34
SGK1 O00141 1/20 0.34

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
SCHEMBL4827483 0.88 PIM1 (0.40) PIM1PIM3PIM2BTKITK
SCHEMBL4832675 0.87 PIM1 (0.40) PIM1PIM3PIM2BTKITK
SCHEMBL4827463 0.86 SGK1 (0.45) PIM1PIM3PIM2BTKITK
SCHEMBL4824437 0.85 PIM1 (0.39) PIM1PIM3PIM2BTKITK
SCHEMBL14382483 0.80 BTK (0.38) PIM1PIM3PIM2BTKITK
SCHEMBL4829456 0.79 NTRK1 (0.46) PIM1PIM3PIM2BTKITK
SCHEMBL4831608 0.78 MAPK8 (0.53) CDK2TNIKDYRK1ACCNT1CCNA2
SCHEMBL14002298 0.78 CCNT1 (0.40) PIM1PIM3PIM2BTKITK
SCHEMBL4824150 0.78 CDK2 (0.45) PIM1PIM3BTKITKCDK2
SCHEMBL4831294 0.77 AXL (0.56) BTKROCK2GSK3BIRAK4TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 PIM1 466/4885PIM3 484/4885PIM2 481/4885

“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.