SCHEMBL4798955

SCHEMBL4798955

CN1CCN(c2ccc(COc3cnc4[nH]ccc4c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 8/20 0.44
▸ ALK Q9UM73 2/20 0.44
▸ MAP4K1 Q92918 2/20 0.44
▸ FLT3 P36888 2/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ INSR P06213 1/20 0.44
▸ CDK2 P24941 1/20 0.44
▸ MAP3K11 Q16584 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.42

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
SCHEMBL4785720 0.87 HDAC1 (0.46) RPS6KA3FLT3MAP3K11HDAC1HDAC6
SCHEMBL855738 0.79 HTR3A (0.56) RPS6KA3FLT3IKBKBCHUKABL1
SCHEMBL28499630 0.78 FLT3 (0.56) RPS6KA3MAP4K1FLT3IKBKBCHUK
SCHEMBL12338455 0.78 FGFR1 (0.59) FLT3HDAC1HDAC6HDAC5MAPK1
SCHEMBL4786065 0.77 LTA4H (0.51) FLT3IKBKBCHUKABL1INSR
SCHEMBL4787094 0.76 HDAC1 (0.55) HDAC1HDAC6HDAC5MAPK1FGFR1
SCHEMBL4784773 0.76 HDAC1 (0.50) FLT3HDAC1HDAC6HDAC5FGFR1
SCHEMBL4786218 0.76 CDK8 (0.54) FLT3ABL1HDAC1HDAC6HDAC5
SCHEMBL4785668 0.75 HDAC6 (0.47) HDAC1HDAC6HDAC5EGFRFGFR1
SCHEMBL4802855 0.74 CYP4F2 (0.49) FLT3HDAC1HDAC6HDAC5FGFR1

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 8 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
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 RPS6KA3 99/4885ALK 749/4885MAP4K1 15/4885

“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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