SCHEMBL2064036

SCHEMBL2064036

C1=C(c2c[nH]c3cnccc23)CC2CCCN2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
DYRK1A Q13627 11/20 0.44
NFATC1 O95644 6/20 0.44
GSK3B P49841 4/20 0.44
PDPK1 O15530 1/20 0.40
TGFBR1 P36897 1/20 0.40
IKBKE Q14164 1/20 0.40
CDK2 P24941 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
IGF1R P08069 2/20 0.38
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CDC42BPA Q5VT25 2/20 0.36
CDC42BPB Q9Y5S2 2/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2063978 0.91 HTR2A (0.37) HTR2ACDK2ROCK2ROCK1CDC42BPA
SCHEMBL30908963 0.83 HTR1A (0.52) HTR2A
SCHEMBL8383236 0.83 HTR1A (0.52) HTR2A
Potassium Ion SCHEMBL8711597 0.81 HTR1A (0.50) HTR2A
SCHEMBL2063653 0.79 TMEM97 (0.47) HTR2ADYRK1AGSK3BCDK2DYRK1B
SCHEMBL8387133 0.79 SLC6A4 (0.36)
SCHEMBL1122232 0.78 HTR1D (0.43)
SCHEMBL6999444 0.78 SLC6A4 (0.56)
SCHEMBL6999439 0.78 SLC6A4 (0.56)
SCHEMBL6994351 0.77 SLC6A4 (0.56) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132734-A1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-07-08 US claimed
EP-1204662-B1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2004-06-02 EP claimed
US-20010049441-A1 Azaindoles having serotonin receptor affnity ALLELIX BIOPHARMACEUTICALS, INC. 2001-12-06 US claimed
US-6191141-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEN DISORDERS NPS ALLELIX CORP. (CA) 2001-02-20 US claimed
US-20120302596-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS PHARMACEUTICALS, INC. (US) 2012-11-29 US disclosed
US-8148394-B2 Azaindoles having serotonin receptor affinity NPS PHARMACEUTICALS, INC. (US) 2012-04-03 US disclosed
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity NPS ALLELIX CORP. (CA) 2008-01-03 US disclosed
US-7268127-B2 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP (CA) 2007-09-11 US disclosed
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor NPS ALLELIX CORP. (CA) 2005-10-27 US disclosed
US-6916818-B2 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2005-07-12 US disclosed
US-20040132734-A1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-07-08 US disclosed
EP-1204662-B1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP (CA) 2004-06-02 EP disclosed
US-6686374-B1 Azaindoles having serotonin receptor affinity NPS ALLELIX CORP. (CA) 2004-02-03 US disclosed
EP-1204662-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS Allelix Corp. (CA) 2002-05-15 EP disclosed
US-20010049441-A1 Azaindoles having serotonin receptor affnity ALLELIX BIOPHARMACEUTICALS, INC. 2001-12-06 US disclosed
WO-2001012629-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY NPS ALLELIX CORP. (US) 2001-02-22 WO disclosed
US-6191141-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEN DISORDERS NPS ALLELIX CORP. (CA) 2001-02-20 US 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 (5 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-20120302596-A1 AZAINDOLES HAVING SEROTONIN RECEPTOR AFFINITY HTR6, DRD2, HTR1A HTR2A 15/4885DYRK1A 1309/4885NFATC1 4263/4885
US-20080004307-A1 Azaindoles Having Serotonin Receptor Affinity HTR6, DRD2, HTR1A HTR2A 15/4885DYRK1A 1309/4885NFATC1 4263/4885
US-20040132734-A1 Azaindoles having serotonin receptor affinity DRD2, HTR3C, HTR2C HTR2A 11/4885DYRK1A 870/4885NFATC1 3054/4885
US-20010049441-A1 Azaindoles having serotonin receptor affnity DRD2, DRD3, HTR3C HTR2A 10/4885DYRK1A 856/4885NFATC1 2365/4885
US-20050239788-A1 Substituted with pyrrolopiperazine; schizophrenia, psychosis, depression; inhibition of the 5-HT6 receptor CRHR1, HTR6, HTR1A HTR2A 12/4885DYRK1A 754/4885NFATC1 3576/4885

“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.