SCHEMBL3882808

SCHEMBL3882808

OCCn1cc2c(n1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PTGIR P43119 1/20 0.40
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
BRAF P15056 4/20 0.34
BMPR1B O00238 2/20 0.34
CIT O14578 2/20 0.34
RIPK2 O43353 2/20 0.34
STK10 O94804 2/20 0.34
MAP4K4 O95819 2/20 0.34
ABL1 P00519 2/20 0.34
RAF1 P04049 2/20 0.34
ERBB3 P21860 2/20 0.34
JAK1 P23458 2/20 0.34
ACVR1B P36896 2/20 0.34
TGFBR1 P36897 2/20 0.34

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
SCHEMBL4488708 0.82 PTGS2 (0.44) PTGIR
SCHEMBL3885071 0.75 KMT2A (0.44) KMT2AMEN1PTGIRAURKAAURKB
SCHEMBL3889385 0.75 KDM4E (0.40) MAPK1KDM4EATMCYP1A2CYP2D6
SCHEMBL11484651 0.73 PTGIR (0.66) KMT2AMEN1PTGIRAURKAAURKB
SCHEMBL4695684 0.72 CYP1A2 (0.37) KMT2AMAPK1KDM4EATMCYP1A2
SCHEMBL4502812 0.72 NPC1 (0.33) KMT2AMEN1MAPK1KDM4EATM
SCHEMBL3882223 0.71 PTGIR (0.38) KMT2AMEN1PTGIRMAPK1KDM4E
SCHEMBL11002490 0.69 P2RX4 (0.38) KMT2AMEN1KDM4EATM
SCHEMBL14235673 0.68 MEN1 (0.53) KMT2AMEN1PTGIRMAPK1BRAF
SCHEMBL14519366 0.68 PTGIR (0.58) KMT2AMEN1PTGIRAURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US claimed
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP claimed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP claimed
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US claimed
EP-1686989-A1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Pliva - Istrazivacki Institut d.o.o. (HR) 2006-08-09 EP claimed
EP-1587807-A3 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva-Istrazivacki Institut D.D.O. (HR) 2005-11-16 EP claimed
EP-1587807-A2 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF Pliva-Istrazivacki Institut D.D.O. (HR) 2005-10-26 EP claimed
US-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
WO-2005049015-A1 USE OF 1,2-DIAZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 WO claimed
WO-2003099822-A2 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-12-04 WO claimed
US-7550498-B2 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2009-06-23 US disclosed
EP-1686989-B1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GLAXOSMITHKLINE ZAGREB (HR) 2009-01-14 EP disclosed
EP-1587807-B1 1,2-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-06-18 EP disclosed
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-07-26 US disclosed
EP-1686989-A1 USE OF 1,2-DIAZA-DIBENZO[E,H]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Pliva - Istrazivacki Institut d.o.o. (HR) 2006-08-09 EP disclosed
US-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US disclosed
WO-2005049015-A1 USE OF 1,2-DIAZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA - ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 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-20050209296-A1 1,2-Diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B KMT2A 3889/4885MEN1 890/4885PTGIR 1190/4885
US-20070173492-A1 1,2-Diaza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, DDT, BCHE KMT2A 2062/4885MEN1 283/4885PTGIR 3028/4885

“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.