SCHEMBL4831086

SCHEMBL4831086

Nc1cccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.61
NTRK1 P04629 6/20 0.59
PIK3CA P42336 3/20 0.56
DYRK1A Q13627 2/20 0.55
CCNT1 O60563 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK2 P24941 2/20 0.49
CDK9 P50750 2/20 0.49
RIPK1 Q13546 1/20 0.46
IGF1R P08069 1/20 0.46
CLK1 P49759 1/20 0.46

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
SCHEMBL4829123 0.91 NTRK1 (0.52) KITNTRK1PIK3CADYRK1ACCNT1
SCHEMBL4831294 0.90 AXL (0.56) NTRK1DYRK1A
SCHEMBL4831178 0.88 CCNT1 (0.48) KITNTRK1PIK3CADYRK1ACCNT1
SCHEMBL4831469 0.88 CDC7 (0.46) KITNTRK1DYRK1ACCNT1CCNA2
SCHEMBL4298090 0.86 DYRK1A (0.53) KITNTRK1PIK3CADYRK1ACCNT1
SCHEMBL4827652 0.86 NEK1 (0.45) KITNTRK1PIK3CADYRK1ACCNT1
SCHEMBL4832683 0.86 MAPK1 (0.44) KITNTRK1DYRK1ACCNT1CCNA2
SCHEMBL4827380 0.86 NTRK1 (0.50) KITNTRK1PIK3CACCNT1CCNA2
SCHEMBL4302695 0.85 NTRK1 (0.58) KITNTRK1CCNT1CCNA2CDK2
SCHEMBL4823835 0.85 MAP3K11 (0.47) KITPIK3CADYRK1ACCNT1CCNA2

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 KIT 1325/4885NTRK1 1926/4885PIK3CA 40/4885

“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.