SCHEMBL4802855

SCHEMBL4802855

CS(=O)(=O)c1ccc(COc2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.49
▸ CYP4A11 Q02928 2/20 0.49
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ FGFR1 P11362 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ ATR Q13535 1/20 0.45
▸ FLT3 P36888 4/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ GPR119 Q8TDV5 5/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ CDK8 P49336 1/20 0.40
▸ MMP13 P45452 1/20 0.39
▸ GHSR Q92847 1/20 0.39

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
SCHEMBL12338455 0.82 FGFR1 (0.59) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4787094 0.80 HDAC1 (0.55) CYP4F2CYP4A11HDAC1HDAC6HDAC5
SCHEMBL4784773 0.80 HDAC1 (0.50) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4786218 0.80 CDK8 (0.54) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4785668 0.79 HDAC6 (0.47) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL298261 0.76 CDK8 (0.50) FGFR1KDRATRNAMPTCDK8
SCHEMBL4782844 0.76 HDAC1 (0.49) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL857607 0.76 RIPK1 (0.61) FGFR1KDRATRFLT3CDK8
SCHEMBL4798955 0.74 RPS6KA3 (0.44) HDAC1HDAC6HDAC5FGFR1KDR
SCHEMBL4785921 0.73 FGFR1 (0.59) HDAC1HDAC6HDAC5FGFR1KDR

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 CYP4F2 4099/4885CYP4A11 3524/4885HDAC1 850/4885

“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.

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