SCHEMBL3100002

SCHEMBL3100002

Cc1ccc(N)cc1-n1ccc2ccc(OCCN3CCCC3)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
LTA4H P09960 2/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
MCHR1 Q99705 6/20 0.44
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
HRH3 Q9Y5N1 1/20 0.42
NUAK1 O60285 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL3093159 0.86 MAPK14 (0.45) MAOBLTA4HMCHR1KCNH2KDM4E
SCHEMBL1399864 0.85 PSMB1 (0.46) MAOBLTA4HMCHR1KCNH2KDM4E
SCHEMBL3988331 0.84 MAOB (0.45) MAOBMCHR1KCNH2KDM4ESIGMAR1
SCHEMBL3112375 0.84 JAK2 (0.44) MAOBMCHR1KCNH2KDM4EHRH3
SCHEMBL3100907 0.84 KMT2A (0.47) MAOBKCNH2KDM4EHRH3
SCHEMBL1400018 0.82 MAPK14 (0.47) MAOBKDM4ESIGMAR1HRH3
SCHEMBL1399869 0.81 MAPK14 (0.47) MAOBKDM4ESIGMAR1HRH3
SCHEMBL1399803 0.81 MAPK14 (0.59)
SCHEMBL1399878 0.80 MAPK14 (0.47) MAOBKDM4ESIGMAR1
SCHEMBL1399746 0.80 MAPK14 (0.58)

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-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-09-16 US disclosed
EP-2035386-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2009-03-18 EP disclosed
US-20080207596-A1 Novel compounds 329 MARTIN BARRIE 2008-08-28 US disclosed
WO-2007149031-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-12-27 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 (2 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-20080207596-A1 Novel compounds 329 CCL11, IL2, IL1B MAOB 3411/4885LTA4H 804/4885PTGS1 715/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B MAOB 1958/4885LTA4H 1023/4885PTGS1 215/4885

“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.