SCHEMBL4829456

SCHEMBL4829456

CN(C)c1ccnc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
KIT P10721 1/20 0.41
CCNT1 O60563 8/20 0.41
CCNA2 P20248 8/20 0.41
CDK2 P24941 8/20 0.41
CDK9 P50750 8/20 0.41
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAP3K11 Q16584 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
PDPK1 O15530 3/20 0.36
BTK Q06187 2/20 0.36
ITK Q08881 2/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4302695 0.88 NTRK1 (0.58) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4831608 0.87 MAPK8 (0.53) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4831178 0.87 CCNT1 (0.48) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4827483 0.87 PIM1 (0.40) NTRK1CCNT1CCNA2CDK2CDK9
SCHEMBL4831106 0.86 NTRK1 (0.46) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4824150 0.85 CDK2 (0.45) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4829477 0.82 CDK2 (0.43) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL14002298 0.81 CCNT1 (0.40) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4827380 0.81 NTRK1 (0.50) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4831294 0.81 AXL (0.56) NTRK1MAPK9MAP3K11BTKDYRK1A

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 6 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

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 NTRK1 1926/4885KIT 1325/4885CCNT1 1043/4885

“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.