SCHEMBL2789112

SCHEMBL2789112

CC(C)NC(=O)c1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.61
MLYCD O95822 1/20 0.47
GAA P10253 1/20 0.45
CLPP Q16740 1/20 0.44
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
USP2 O75604 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
PDK2 Q15119 1/20 0.42
ALOX5 P09917 1/20 0.42
NOTUM Q6P988 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CES2 O00748 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 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
SCHEMBL11955718 0.89 NPSR1 (0.71) NPSR1MLYCDGAACLPPRHOC
SCHEMBL2789109 0.84 NPSR1 (0.61) NPSR1MLYCDGAACLPPRHOC
SCHEMBL13753151 0.83 NPSR1 (0.63) NPSR1MLYCDGAACLPPUSP2
SCHEMBL16261254 0.83 NPSR1 (0.63) NPSR1MLYCDGAACLPPRHOC
SCHEMBL1927538 0.82 GAA (0.49) NPSR1GAAHDAC8NOTUMCES2
SCHEMBL23237358 0.81 NPSR1 (0.61) NPSR1MLYCDGAACLPPRHOC
SCHEMBL16259552 0.81 NPSR1 (0.61) NPSR1MLYCDGAACLPPRHOC
Hydrochloric Acid SCHEMBL583552 0.81 GAA (0.47) NPSR1GAAHDAC8NOTUMCES2
SCHEMBL7107910 0.80 NPSR1 (0.41) NPSR1GAACLPPRHOCRHOA
SCHEMBL15542726 0.80 GAA (0.50) GAARHOCRHOAHDAC8CES2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP disclosed
US-8541432-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-09-24 US 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-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-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-8486954-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2013-07-16 US disclosed
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-09-27 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-8242125-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-08-14 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
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 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
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 (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-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 NPSR1 4249/4885MLYCD 1728/4885GAA 1780/4885
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases CDK2, PHKG1, PHKG2 NPSR1 4249/4885MLYCD 1728/4885GAA 1780/4885

“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.