SCHEMBL31061

SCHEMBL31061

N#Cc1c(-c2ccccc2)c(F)n2c1CNCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
ADORA2A P29274 3/20 0.35
HPGD P15428 2/20 0.35
ADRA2A P08913 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KMT2A Q03164 3/20 0.34
ATM Q13315 1/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPT P10636 3/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 2/20 0.33
PDE9A O76083 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
OPRD1 P41143 1/20 0.33
PARP1 P09874 1/20 0.32

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
SCHEMBL31430 0.84 HTR2A (0.45) HTR2AHTR2CALDH1A1KDM4EADORA2A
SCHEMBL30166 0.75 CSNK1E (0.39) HTR2AHTR2CADORA2A
SCHEMBL11729462 0.65 HTR2C (0.65) HTR2AHTR2CALDH1A1KDM4EKMT2A
SCHEMBL31245237 0.65 HTR2C (0.48) HTR2AHTR2CKDM4EKMT2AHSD17B10
SCHEMBL8787640 0.65 HTR2C (0.42) HTR2AHTR2CALDH1A1KDM4EHPGD
SCHEMBL23174834 0.63 ALDH1A1 (0.48) ALDH1A1KDM4EADORA2AHPGDADRA2A
Hydrochloric Acid SCHEMBL4591697 0.62 HTR2A (0.45) HTR2AHTR2CKDM4EHPGDMAPT
SCHEMBL6712419 0.62 HTR2A (1.00) HTR2AHTR2CALDH1A1KDM4EKMT2A
SCHEMBL12679798 0.62 ALDH1A1 (0.55) ALDH1A1KDM4EADORA2AHPGDADRA2A
SCHEMBL12681373 0.62 ALDH1A1 (0.55) ALDH1A1KDM4EADORA2AHPGDADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588480-B1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP disclosed
EP-2588480-B1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-08-17 EP disclosed
US-9233965-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2016-01-12 US disclosed
US-9233965-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2016-01-12 US disclosed
US-9233965-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2016-01-12 US disclosed
US-20140336189-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-11-13 US disclosed
US-20140336189-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-11-13 US disclosed
US-20140336189-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-11-13 US disclosed
US-8791119-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2014-07-29 US disclosed
US-8791119-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2014-07-29 US disclosed
US-8791119-B2 3,4-dihydropyrrolo[1,2-A]pyrazine-2,8(1H)-dicarboxamide derivatives, preparation thereof and therapeutic use thereof for diseases involving casein kinase 1 epsilon and/or casein kinase 1 delta SANOFI (FR) 2014-07-29 US disclosed
US-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-11 US disclosed
US-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-11 US disclosed
US-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-04-11 US disclosed
WO-2011161537-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 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-20130090340-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCN1, HCN2 HTR2A 1439/4885HTR2C 730/4885ALDH1A1 703/4885
US-20140336189-A1 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCN1, HCN2 HTR2A 1439/4885HTR2C 730/4885ALDH1A1 703/4885

“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.