SCHEMBL4786517

SCHEMBL4786517

Cn1cncc1COc1cnc2[nH]ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ PIK3CG P48736 2/20 0.40
▸ RIPK1 Q13546 2/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CDK8 P49336 7/20 0.38
▸ AXL P30530 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ MGMT P16455 1/20 0.36
▸ MTOR P42345 2/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ HCK P08631 1/20 0.34
▸ SRC P12931 1/20 0.34

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
SCHEMBL4904500 0.83 ACACB (0.45) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL413709 0.74 KDR (0.54) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL4786218 0.72 CDK8 (0.54) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL12338455 0.72 FGFR1 (0.59) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL4785317 0.71 HDAC1 (0.46) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL296198 0.71 KDR (0.65) KDRFGFR1PIK3CAPIK3CDPIK3CB
SCHEMBL415173 0.71 KDR (0.54) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL4787094 0.70 HDAC1 (0.55) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL4784773 0.70 HDAC1 (0.50) KDRFGFR1HDAC1HDAC6HDAC5
SCHEMBL4798955 0.70 RPS6KA3 (0.44) KDRFGFR1HDAC1HDAC6HDAC5

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 KDR 1084/4885FGFR1 775/4885HDAC1 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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