SCHEMBL3882295

SCHEMBL3882295

CC1CN(c2nccnc2Cl)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
KIT P10721 1/20 0.44
HRH4 Q9H3N8 2/20 0.44
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
BCL2A1 Q16548 2/20 0.38
PRKCQ Q04759 3/20 0.37
PRKCD Q05655 1/20 0.37
PRKCI P41743 1/20 0.37
CDK1 P06493 2/20 0.36
CDK4 P11802 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNA2 P20248 2/20 0.36
CCND1 P24385 2/20 0.36
CDK2 P24941 2/20 0.36
CCNA1 P78396 2/20 0.36
HDAC1 Q13547 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
SCHEMBL3882291 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL3884627 1.00 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14KIT
Tert-Butyl Formate SCHEMBL27563639 0.85 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL4781601 0.82 PRKCQ (0.41) MAPK13MAPK12MAPK11MAPK14HRH4
SCHEMBL2385053 0.81 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL3707817 0.80 TRPV1 (0.47) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL232057 0.80 TRPV1 (0.47) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL232058 0.80 TRPV1 (0.47) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL2897789 0.77 MAPT (0.42) MAPK13MAPK12MAPK11MAPK14KIT
SCHEMBL16439229 0.77 ALDH1A1 (0.46) MAPK13MAPK12MAPK11MAPK14KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
CN-1305871-C For the treatment of 5-HT2APiperazinyl-pyrazinone derivatives for receptor related diseases BIOVITRUM AB (SE) 2007-03-21 CN disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
CN-1823057-A Biaryl piperazinyl-pyridine analogues NEUROGEN CORP (US) 2006-08-23 CN disclosed
CN-1675198-A Novel piperazinyl-pyrazinone derivatives for the treatment of 5-HT2a receptor-related disorders BIOVITRUM AB (SE) 2005-09-28 CN disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C MAPK13 3685/4885MAPK12 4161/4885MAPK11 3219/4885
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG MAPK13 3283/4885MAPK12 3462/4885MAPK11 3493/4885

“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.