SCHEMBL5913829

SCHEMBL5913829

Cc1cccc(-c2cccc(N(C)c3ccnc(NCCc4ccccc4)n3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.45
▸ HTR7 P34969 2/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ HTR5A P47898 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 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
SCHEMBL5914156 0.92 HTR7 (0.46) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5914059 0.90 HTR7 (0.43) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5914257 0.86 MAPT (0.45) MAPK14HTR7ADRA2BADRA2CSLC6A2
SCHEMBL5913817 0.83 CCNT1 (0.45) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5913889 0.82 MAPT (0.43) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5914306 0.81 MKNK1 (0.47) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5913967 0.80 HTR7 (0.48) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5913939 0.80 HTR7 (0.44) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5914231 0.78 CYP1A2 (0.45) HTR7ADRA2BADRA2CSLC6A2HRH2
SCHEMBL5263810 0.75 KDR (0.45) MAPK14HTR7ADRA2BADRA2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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 (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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP MAPK14 2620/4885HTR7 3134/4885ADRA2B 450/4885

“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.

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