SCHEMBL3267030

SCHEMBL3267030

c1cc(-c2cncc(N3CCNCC3)n2)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.52
ROCK1 Q13464 4/20 0.52
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PIM2 Q9P1W9 7/20 0.50
PIM1 P11309 6/20 0.47
PIM3 Q86V86 5/20 0.47
HTR2B P41595 1/20 0.41
AR P10275 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
SCHEMBL4995167 0.81 HRH4 (0.50) ROCK2ROCK1ARDRD2HTR6
Hydrochloric Acid SCHEMBL3269195 0.79 PIM2 (0.61) ROCK2ROCK1HTR2AHTR2CKDM4E
SCHEMBL4997431 0.79 MAPT (0.50) KDM4EALDH1A1HPGDHSD17B10DRD2
SCHEMBL22236781 0.78 ROCK2 (0.58) ROCK2ROCK1HTR2AHTR2CKDM4E
SCHEMBL18791029 0.78 HTR2A (0.60) ROCK2ROCK1HTR2AHTR2CKDM4E
SCHEMBL22236834 0.78 ROCK2 (0.56) ROCK2ROCK1HTR2AHTR2CKDM4E
SCHEMBL4992439 0.77 SMN1; SMN2 (0.51) HTR2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4991897 0.77 NEK2 (0.43) MEN1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5003300 0.75 DRD2 (0.46) HTR2AHTR2CMEN1ALDH1A1CYP1A2
SCHEMBL6354195 0.74 CYP2A6 (0.56) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1267424-C Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor BIOVITRUM AB (SE) 2006-08-02 CN claimed
EP-1335907-B1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB PUBL (SE) 2010-06-09 EP disclosed
CN-100451016-C Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2009-01-14 CN disclosed
US-7247633-B2 Pyrimidine compounds and their use BIOVITRUM AB (SE) 2007-07-24 US disclosed
CN-1876648-A Piperazinylpyrazine compounds as agonists or antagonists of serotonin 5ht-2 receptors BIOVITRUM AB (SE) 2006-12-13 CN disclosed
CN-1267424-C Piperazinylpyrazine compounds as agonists or antagonists of the 5-hydroxytryptamine 5 HT-2 receptor BIOVITRUM AB (SE) 2006-08-02 CN disclosed
US-20040014767-A1 Novel compounds and their use BIOVITRUM AB, A SWEDISH CORPORATION 2004-01-22 US disclosed
EP-1335907-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2003-08-20 EP disclosed
US-6593330-B2 Central nervous system disorders; antiserotonine agents BIOVITRUM (SE) 2003-07-15 US disclosed
US-20020147200-A1 Novel compounds and their use PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-10-10 US disclosed
WO-2002040456-A1 PIPERAZINYLPYRAZINE COMPOUNDS AS AGONIST OR ANTAGONIST OF SEROTONIN 5HT-2 RECEPTOR BIOVITRUM AB (SE) 2002-05-23 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-20020147200-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ROCK2 1172/4885ROCK1 722/4885HTR2A 1308/4885
US-20040014767-A1 Novel compounds and their use BRIX1, UGT1A1, NR5A1 ROCK2 1172/4885ROCK1 722/4885HTR2A 1308/4885

“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.