SCHEMBL2809480

SCHEMBL2809480

Cc1cccc2c(CCNc3nc4c5c(n3)N(Cc3ccccc3)CCC5NN4)c[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.37
EIF2AK2 P19525 1/20 0.36
HTR2A P28223 5/20 0.35
HTR1A P08908 5/20 0.34
DRD2 P14416 4/20 0.34
HTR7 P34969 4/20 0.34
HTR6 P50406 4/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
IP6K1 Q92551 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
FTO Q9C0B1 1/20 0.33
GPR18 Q14330 1/20 0.33

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
SCHEMBL2812187 0.88 HRH3 (0.46) EIF2AK2HTR2AHTR1ADRD2HTR7
SCHEMBL2814443 0.88 RXFP1 (0.35) MAPTACHE
SCHEMBL2816740 0.83 OGA (0.32) SMN1; SMN2ACHE
SCHEMBL2814362 0.82 IP6K1 (0.45) HTR2AMAPTIP6K1BCHEACHE
SCHEMBL2811035 0.82 ACHE (0.37) MAPTNPSR1HRH3POLBBCHE
SCHEMBL2814269 0.82 RXFP1 (0.36) RAB9AACHE
SCHEMBL2816696 0.82 SSTR5 (0.38) SSTR5EIF2AK2HTR2AHTR1ADRD2
SCHEMBL2808403 0.81 CDK2 (0.47) EIF2AK2HTR2AHTR1ADRD2HTR7
SCHEMBL2816455 0.81 SIGMAR1 (0.34) MAPTSMN1; SMN2
SCHEMBL2813048 0.80 IP6K1 (0.40) HTR2AHTR1ADRD2HTR7HTR6

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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 SSTR5 1758/4885EIF2AK2 1147/4885HTR2A 2863/4885

“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.