SCHEMBL4823835

SCHEMBL4823835

Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4cnc5[nH]ccc5c4)cc23)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 7/20 0.47
CDK8 P49336 6/20 0.43
AXL P30530 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK2 Q92630 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CDK2 P24941 2/20 0.43
CLK1 P49759 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ABL1 P00519 1/20 0.43
INSR P06213 1/20 0.43
FLT3 P36888 1/20 0.43
CYP2C9 P11712 1/20 0.42
LRRK2 Q5S007 1/20 0.42
NUDT1 P36639 1/20 0.42
TNIK Q9UKE5 1/20 0.42
CCNT1 O60563 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
SCHEMBL4831294 0.89 AXL (0.56) MAP3K11CDK8AXLDYRK1AABL1
SCHEMBL4827380 0.87 NTRK1 (0.50) CDK8AXLCDK2TNIKCCNT1
SCHEMBL4827652 0.87 NEK1 (0.45) CDK8AXLDYRK1ACDK2ABL1
SCHEMBL4832683 0.87 MAPK1 (0.44) MAP3K11CDK8AXLDYRK1ADYRK2
SCHEMBL4829123 0.86 NTRK1 (0.52) MAP3K11CDK8AXLDYRK1ADYRK2
SCHEMBL4829477 0.85 CDK2 (0.43) CDK8AXLDYRK1ACDK2ABL1
SCHEMBL4298090 0.85 DYRK1A (0.53) CDK8AXLDYRK1ACDK2CLK1
SCHEMBL4831469 0.85 CDC7 (0.46) CDK8AXLDYRK1ADYRK2DYRK1B
SCHEMBL4831086 0.85 KIT (0.61) DYRK1ACDK2CLK1CCNT1CCNA2
SCHEMBL4823302 0.84 AXL (0.42) CDK8AXLDYRK1ADYRK2DYRK1B

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 MAP3K11 26/4885CDK8 273/4885AXL 1103/4885

“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.