SCHEMBL4920551

SCHEMBL4920551

c1ccn2cc(COc3cnc4[nH]ccc4c3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 4/20 0.56
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ PDE10A Q9Y233 2/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TSHR P16473 2/20 0.41
▸ AXL P30530 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL3476577 0.79 KDM4E (0.58) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4904479 0.78 HTT (0.40) SMN1; SMN2NPC1RAB9AALDH1A1TDP1
SCHEMBL17694678 0.77 KDM4E (0.78) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4932189 0.75 FGFR1 (0.39) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4786218 0.74 CDK8 (0.54) NPC1RAB9AL3MBTL1AXLCDK8
SCHEMBL11427962 0.73 KDM4E (0.72) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4726835 0.72 NPC1 (0.75) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3476282 0.70 KDM4E (0.67) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL23488101 0.68 KDM4E (1.00) KDM4ESMN1; SMN2NPC1RAB9ALMNA
SCHEMBL413709 0.68 KDR (0.54) AXLCDK8

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-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

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 KDM4E 2029/4885SMN1; SMN2 1839/4885NPC1 2367/4885

“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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