SCHEMBL1122280

SCHEMBL1122280

c1ccc(Nc2ccc3c(c2)OCCCO3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
KMT2A Q03164 6/20 0.55
KDM1A O60341 1/20 0.55
RHOA P61586 1/20 0.49
CNR1 P21554 1/20 0.48
DYRK1A Q13627 1/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 1/20 0.48
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
DHODH Q02127 1/20 0.48
EGFR P00533 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL657416 0.93 KDM1A (0.62) NPC1RAB9AKMT2AKDM1ARHOA
SCHEMBL7926077 0.85 EGFR (0.58) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL24777901 0.82 ADRA2A (0.61) NPC1RAB9AKMT2AKDM1ARHOA
SCHEMBL22682114 0.81 DYRK3 (0.43) NPC1RAB9AKMT2AKDM1ADYRK1A
SCHEMBL17210586 0.81 KCNH3 (0.62) KDM1ARHOAALDH1A1MAPTSMN1; SMN2
SCHEMBL19754301 0.79 ABL1 (0.54) NPC1RAB9AKMT2AKDM1ARHOA
SCHEMBL1920755 0.77 NPC1 (0.60) NPC1RAB9AKMT2ADYRK1AMEN1
SCHEMBL1007796 0.76 NPC1 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1008711 0.76 MAPT (0.55) NPC1RAB9AKMT2AKDM1ARHOA
SCHEMBL17210584 0.76 KCNH3 (0.64) KMT2AKDM1ARHOAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
EP-1831184-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS The Wellcome Trust Limited (GB) 2007-09-12 EP disclosed
WO-2006067466-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS THE WELLCOME TRUST LIMITED (GB) 2006-06-29 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-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR NPC1 1360/4885RAB9A 1909/4885KMT2A 2377/4885

“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.