SCHEMBL2809474

SCHEMBL2809474

Cc1cccc2c(CCNc3nc4c5c(n[nH]c5n3)CCN4Cc3ccccc3)c[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.37
HTR2A P28223 8/20 0.36
HTR1A P08908 7/20 0.36
DRD2 P14416 7/20 0.36
HTR7 P34969 7/20 0.36
HTR6 P50406 7/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SSTR5 P35346 1/20 0.35
FTO Q9C0B1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 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
SCHEMBL2812182 0.88 HTR1A (0.48) EIF2AK2HTR2AHTR1ADRD2HTR7
SCHEMBL2814442 0.87 CLPP (0.39) MAPT
SCHEMBL2816737 0.82 ACHE (0.37) MAPT
SCHEMBL2816693 0.82 CCNE2 (0.40) EIF2AK2HTR2AHTR1ADRD2HTR7
SCHEMBL2814358 0.81 IP6K1 (0.44) HTR2AHTR1ADRD2HTR7HTR6
SCHEMBL2811032 0.81 CLPP (0.40) HTR6NPSR1POLB
SCHEMBL2814261 0.81 CLPP (0.39) RAB9A
SCHEMBL14405859 0.81 HRH4 (0.41) HTR2AHTR7HTR6HRH3POLB
SCHEMBL2808392 0.81 CCNE2 (0.49) EIF2AK2HTR2AHTR1ADRD2HTR7
SCHEMBL2816451 0.80 CLPP (0.39) MAPTSMN1; SMN2

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 6 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 EIF2AK2 1147/4885HTR2A 2863/4885HTR1A 2671/4885

“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.