SCHEMBL2767593

SCHEMBL2767593

CCN(C(=O)O)c1nc(N=C(c2ccccc2)c2ccccc2)cc2[nH]cnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK14 Q16539 4/20 0.32
ESR1 P03372 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PARP1 P09874 1/20 0.32
GRM1 Q13255 1/20 0.31
PAX8 Q06710 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL2766670 0.78 PNP (0.36) PARP1
SCHEMBL2732401 0.66 ALDH1A1 (0.37) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL2767592 0.65 KMT2A (0.37) RAB9ASMN1; SMN2MAPK14NPC1
SCHEMBL30204490 0.62 PLAU (0.43) CTNNB1WNT3AALDH1A1RAB9AKDM4E
SCHEMBL13667389 0.62 EGLN1 (0.43) CTNNB1WNT3AALDH1A1HTTRAB9A
SCHEMBL6445178 0.61 MEN1 (0.54) CTNNB1WNT3AALDH1A1HTTRAB9A
SCHEMBL4694718 0.59 EGLN1 (0.46) ALDH1A1HTTRAB9AKDM4EHPGD
SCHEMBL30950067 0.59 PLAU (0.46) ALDH1A1RAB9AKDM4EPARP1NPC1
SCHEMBL1313973 0.59 F2 (0.46) ALDH1A1HTTRAB9AKDM4ESMN1; SMN2
SCHEMBL7032511 0.59 PARP1 (0.47) ALDH1A1PARP1

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
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 US 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-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 CTNNB1 1161/4885WNT3A 1441/4885ALDH1A1 93/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 CTNNB1 1161/4885WNT3A 1441/4885ALDH1A1 93/4885

“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.