SCHEMBL3988800

SCHEMBL3988800

CCOC(=O)c1cnc(Cl)c2ccn(CC)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GLA P06280 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ RECQL P46063 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 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
SCHEMBL3988625 0.84 GAA (0.49) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL3987441 0.81 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL3990367 0.78 MAPT (0.53) KDM4EALDH1A1MAPTRECQLLMNA
SCHEMBL14619505 0.78 ALDH1A1 (0.45) KMT2AKDM4EALDH1A1MEN1HPGD
SCHEMBL11557447 0.75 MAPT (0.60) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL26602346 0.74 NPC1 (0.44) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL22927013 0.73 NPC1 (0.43) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL15413222 0.73 KMT2A (0.53) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL29709454 0.72 HSP90B1 (0.45) MAPTGAALMNAPOLB
SCHEMBL16336317 0.72 HSP90B1 (0.45) MAPTGAALMNAPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 — — US disclosed
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 — — US disclosed
US-7589206-B2 Pyrrolopyridine derivatives GLAXO GROUP LIMITED (GB) 2009-09-15 — — US disclosed
EP-1753764-B1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2008-10-29 — — EP disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 — — US disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 — — US disclosed
US-20070219229-A1 Pyrrolopyridine Derivatives GLAXO GROUP LIMITED (GB) 2007-09-20 — — US disclosed
CN-101001859-A Pyrrolopyridine derivatives GLAXO GROUP LTD (GB) 2007-07-18 — — CN disclosed
EP-1753764-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-02-21 — — EP disclosed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 — — 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-20070219229-A1 Pyrrolopyridine Derivatives CNR2, CNR1, TRPV1 KMT2A 3309/4885KDM4E 2054/4885ALDH1A1 3093/4885

“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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