SCHEMBL6079140

SCHEMBL6079140

c1cncc(OCc2cccc3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
PARP10 Q53GL7 1/20 0.50
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL5609808 0.81 NPC1 (0.64) RAB9ANPC1PARP10CNR1CNR2
SCHEMBL10349749 0.79 PARP10 (0.71) RAB9ANPC1PARP10CNR1CNR2
SCHEMBL7485139 0.78 SGMS2 (0.51) RAB9ANPC1MAPTNPSR1CHRNB2
SCHEMBL3398071 0.78 NOS1 (0.49) RAB9AMAPTNPSR1CHRNB2CHRNA4
SCHEMBL7425699 0.75 CNR1 (0.54) RAB9ANPC1PARP10CNR1CNR2
SCHEMBL15249123 0.74 NPC1 (0.64) RAB9ANPC1PARP10CNR1CNR2
SCHEMBL28492679 0.74 ORAI1 (0.49) RAB9ANPC1MAPTNPSR1CHRNB2
SCHEMBL31307718 0.74 ALDH1A1 (0.57) RAB9ANPC1PARP10MEN1KMT2A
SCHEMBL2516394 0.73 PARP10 (0.68) RAB9ANPC1PARP10CNR1CNR2
SCHEMBL15249111 0.73 NPC1 (0.63) RAB9ANPC1PARP10CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 RAB9A 2580/4885NPC1 1969/4885PARP10 2169/4885

“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.