SCHEMBL2789083

SCHEMBL2789083

Cc1c[c]c(C(N)=O)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.37
NNMT P40261 5/20 0.36
IKBKB O14920 1/20 0.36
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
PLAU P00749 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT6 Q8N6T7 2/20 0.32
ADORA3 P0DMS8 1/20 0.31
TSHR P16473 1/20 0.31
MC4R P32245 1/20 0.31
ADRA1A P35348 1/20 0.31
MC3R P41968 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL14632370 0.82 KDM4E (0.35) TDP1MAPTRAB9AKDM4EKMT2A
SCHEMBL17923445 0.76 SIRT6 (0.38) NNMTADRA2AADRA2BADRA2CPLAU
SCHEMBL15642848 0.76 HPGDS (0.32) PARP1NNMTSIRT6ADORA3TSHR
SCHEMBL2996011 0.76 KDM4E (0.34) PARP1NNMTADRA2AADRA2BADRA2C
SCHEMBL3355718 0.76 PARP1 (0.40) PARP1NNMTSIRT6MKNK1MKNK2
SCHEMBL2790279 0.72 KMT2A (0.50) PARP1PLAUMAPTRAB9AKDM4E
SCHEMBL6755702 0.71 KDM4E (0.39) NNMTTDP1MAPTADORA3KDM4E
SCHEMBL5047396 0.67 APLNR (0.48) PARP1NNMTIKBKBADRA2AADRA2B
SCHEMBL9098711 0.67
SCHEMBL193940 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP claimed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
EP-2616458-B1 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS II BASF SE (DE) 2016-07-20 EP disclosed
US-8541432-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-09-24 US disclosed
US-8501756-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-08-06 US disclosed
US-8492393-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-23 US disclosed
US-8486954-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-16 US disclosed
US-8431584-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-04-30 US disclosed
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20130005753-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2013-01-03 US disclosed
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-09-27 US disclosed
US-8242125-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-08-14 US disclosed
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 US disclosed
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 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 (6 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-20130005753-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885NNMT 1548/4885IKBKB 291/4885
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885NNMT 1548/4885IKBKB 291/4885
US-20130005751-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885NNMT 1548/4885IKBKB 291/4885
US-20130005750-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885NNMT 1548/4885IKBKB 291/4885
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases CDK2, PHKG1, PHKG2 PARP1 505/4885NNMT 1548/4885IKBKB 291/4885
US-20130012529-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 PARP1 505/4885NNMT 1548/4885IKBKB 291/4885

“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.