SCHEMBL2927344

SCHEMBL2927344

COc1cc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)ccc1C(=O)N1CCN(CCCN(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
DRD3 P35462 9/20 0.41
DRD2 P14416 6/20 0.41
ADRB1 P08588 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2B P41595 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL2927770 0.80 CDK2 (0.47) SYKDRD3DRD2CCNKCCNA2
SCHEMBL2925834 0.77 KDR (0.43) SYKDRD3DRD2HRH4
Trifluoroacetic Acid SCHEMBL4890779 0.76 CDK2 (0.43) SYKDRD3DRD2CCNKCCNA2
SCHEMBL2928684 0.76 LRRK2 (0.44) DRD3DRD2ADRB1HTR1AADRA2C
SCHEMBL2930462 0.75 DYRK1A (0.46) DRD3DRD2ADRB1HTR1AADRA2C
SCHEMBL2926010 0.74 LRRK2 (0.53) MAPK1HRH4
SCHEMBL2933809 0.73 PTK6 (0.45) SYKIKBKBCHUKIKBKGHRH4
SCHEMBL2930788 0.73 KDR (0.50) CCNA2CDK2HRH4
SCHEMBL2929192 0.72 SYK (0.40) SYKHPGDCCNA2CDK2CDK7
SCHEMBL2932561 0.71 FYN (0.48) TMEM97SIGMAR1KDM4EALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044051-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS MNK KINASE INHIBITORS BIOVITRUM AB PUBL (SE) 2010-01-27 EP claimed
US-20080039450-A1 Compounds BIOVITRUM AB (PUBL.) (SE) 2008-02-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080039450-A1 Compounds NEK2, CSNK2A3, CSNK2A1 SYK 1798/4885DRD3 2932/4885DRD2 3642/4885

“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.