SCHEMBL4782844

SCHEMBL4782844

FC(F)Oc1ccc(COc2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
TNIK Q9UKE5 2/20 0.46
FGFR1 P11362 1/20 0.43
KDR P35968 1/20 0.43
ALKBH1 Q13686 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.39
RIPK1 Q13546 1/20 0.39
CDK8 P49336 9/20 0.38
AXL P30530 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
CHRNA7 P36544 1/20 0.36
CSF1R P07333 1/20 0.35

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
SCHEMBL4787094 0.84 HDAC1 (0.55) HDAC1HDAC6HDAC5TNIKFGFR1
SCHEMBL12338455 0.83 FGFR1 (0.59) HDAC1HDAC6HDAC5TNIKFGFR1
SCHEMBL4784773 0.81 HDAC1 (0.50) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4786218 0.81 CDK8 (0.54) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4785668 0.80 HDAC6 (0.47) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4802855 0.76 CYP4F2 (0.49) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4785317 0.74 HDAC1 (0.46) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4785720 0.73 HDAC1 (0.46) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4798955 0.72 RPS6KA3 (0.44) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4785921 0.72 FGFR1 (0.59) HDAC1HDAC6HDAC5TNIKFGFR1

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-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
US-8268858-B2 e.g. 5-(3-methoxybenzyloxy)-1H-pyrrolo[2,3-b]pyridine; protein kinases inhibitor; central nervous system disorders; Alzheimer's disease; Parkinson's disease; anticancer, antitumor agents; analgesics; cogestive heart failure; skin disorders; inflammatory bowel disorders; transplant rejection PLEXXIKON INC. (US) 2012-09-18 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
US-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-08-07 US disclosed
WO-2008079909-A1 PYRROLO [2,3-B] PYRIDINES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 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 (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-20080188514-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 HDAC1 850/4885HDAC6 719/4885HDAC5 1019/4885

“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.