SCHEMBL4298090

SCHEMBL4298090

Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4cccnc4)cc23)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.53
CDK2 P24941 3/20 0.53
PIK3CA P42336 3/20 0.53
NTRK1 P04629 3/20 0.53
CCNT1 O60563 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK9 P50750 2/20 0.53
NEK1 Q96PY6 2/20 0.50
KIT P10721 2/20 0.49
PDPK1 O15530 1/20 0.48
CLK1 P49759 3/20 0.47
RIPK1 Q13546 1/20 0.46
CDC7 O00311 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
PIM1 P11309 1/20 0.46
PRKACA P17612 1/20 0.46
GSK3B P49841 1/20 0.46
HIPK2 Q9H2X6 1/20 0.46
CLK4 Q9HAZ1 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
SCHEMBL4827380 0.90 NTRK1 (0.50) CDK2PIK3CANTRK1CCNT1CCNA2
SCHEMBL4827652 0.90 NEK1 (0.45) DYRK1ACDK2PIK3CANTRK1CCNT1
SCHEMBL4831294 0.90 AXL (0.56) DYRK1ANTRK1ROCK2MAP4K4GSK3B
SCHEMBL12763481 0.90 DYRK1A (0.61) DYRK1ACDK2PIK3CANTRK1CCNT1
SCHEMBL4832683 0.88 MAPK1 (0.44) DYRK1ACDK2NTRK1CCNT1CCNA2
SCHEMBL4832861 0.87 CDK2 (0.44) DYRK1ACDK2PIK3CANTRK1CCNT1
SCHEMBL4829477 0.87 CDK2 (0.43) DYRK1ACDK2PIK3CANTRK1CCNT1
SCHEMBL4829590 0.86 CDC7 (0.51) DYRK1ACDK2CCNT1CCNA2CDK9
SCHEMBL4831469 0.86 CDC7 (0.46) DYRK1ACDK2NTRK1CCNT1CCNA2
SCHEMBL4831086 0.86 KIT (0.61) DYRK1ACDK2PIK3CANTRK1CCNT1

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-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
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 (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 DYRK1A 832/4885CDK2 82/4885PIK3CA 40/4885
US-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 DYRK1A 319/4885CDK2 38/4885PIK3CA 27/4885

“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.