SCHEMBL30901

SCHEMBL30901

N#Cc1ccn2c1CNCC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
PNMT P11086 2/20 0.33
HTR2C P28335 5/20 0.33
HTR2B P41595 3/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2A P28223 4/20 0.32
OPRD1 P41143 1/20 0.31
RET P07949 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
SCHEMBL19709513 0.72 HTR2C (0.37) DRD3HTR2CHTR2BHTR2A
SCHEMBL22324753 0.68 DRD2 (0.43) DRD2DRD3PNMTHTR2CHTR2B
SCHEMBL25818342 0.68 HTR2A (0.32) HTR2CHTR2BHTR2A
SCHEMBL21727170 0.68 HTR2A (0.32) HTR2CHTR2A
SCHEMBL24072753 0.68 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL24730621 0.67 HSD17B10 (0.36)
SCHEMBL23235061 0.67 ABCC1 (0.36) ALDH1A1OPRD1
SCHEMBL6998025 0.66 HTR2A (0.35) HTR2CSLC6A4HTR2AOPRD1
SCHEMBL17926082 0.65 HTR7 (0.45) HTR2CHTR2BHTR2A
SCHEMBL21570172 0.62 CHRM3 (0.41) ALDH1A1HTR2COPRD1

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 7 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
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-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
EP-2588480-A2 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; SANOFI (FR) 2013-05-08 EP 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 ALDH1A1 703/4885DRD2 1226/4885DRD3 826/4885
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 ALDH1A1 703/4885DRD2 1226/4885DRD3 826/4885

“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.