SCHEMBL4302695

SCHEMBL4302695

CN(C)c1cccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.58
KIT P10721 5/20 0.54
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
BTK Q06187 3/20 0.43
ITK Q08881 3/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK9 P50750 1/20 0.43
MAP3K11 Q16584 1/20 0.42
AXL P30530 1/20 0.41
CDK8 P49336 1/20 0.41
TNIK Q9UKE5 1/20 0.41
PLCG1 P19174 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
SCHEMBL4831608 0.91 MAPK8 (0.53) NTRK1KITMAPK8MAPK9MAPK10
SCHEMBL4829456 0.88 NTRK1 (0.46) NTRK1KITMAPK8MAPK9MAPK10
SCHEMBL4831294 0.87 AXL (0.56) NTRK1MAPK9BTKMAP3K11AXL
SCHEMBL4831086 0.85 KIT (0.61) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4831469 0.85 CDC7 (0.46) NTRK1KITBTKITKCCNT1
SCHEMBL4298090 0.83 DYRK1A (0.53) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4827463 0.83 SGK1 (0.45) NTRK1KITMAPK8MAPK9MAPK10
SCHEMBL4832683 0.83 MAPK1 (0.44) NTRK1KITCCNT1CCNA2CDK2
SCHEMBL4827652 0.83 NEK1 (0.45) NTRK1KITMAPK9BTKITK
SCHEMBL4827380 0.83 NTRK1 (0.50) NTRK1KITCCNT1CCNA2CDK2

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-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 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
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
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 (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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 NTRK1 1926/4885KIT 1325/4885MAPK8 226/4885
US-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 NTRK1 942/4885KIT 322/4885MAPK8 597/4885

“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.