SCHEMBL2812182

SCHEMBL2812182

c1ccc(CN2CCc3n[nH]c4nc(NCCc5c[nH]c6ccccc56)nc2c34)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.48
DRD2 P14416 8/20 0.48
HTR2A P28223 8/20 0.48
HTR7 P34969 8/20 0.48
HTR6 P50406 8/20 0.48
EIF2AK2 P19525 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
POLB P06746 1/20 0.44
SLC2A1 P11166 1/20 0.44
RAD52 P43351 1/20 0.44
KMT2A Q03164 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PAK4 O96013 1/20 0.42
GPR18 Q14330 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2808392 0.91 CCNE2 (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2814358 0.88 IP6K1 (0.44) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2809474 0.88 EIF2AK2 (0.37) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL2814261 0.84 CLPP (0.39) KMT2A
SCHEMBL2816451 0.84 CLPP (0.39)
SCHEMBL2814442 0.84 CLPP (0.39) SLC2A1KMT2A
SCHEMBL2811941 0.82 CLPP (0.41) HRH3KMT2A
SCHEMBL2808422 0.82 MRGPRX1 (0.40) HTR2AHTR7HTR6HRH3MKNK1
SCHEMBL2810525 0.82 MRGPRX1 (0.49) KMT2A
SCHEMBL2813041 0.81 HTR1A (0.40) HTR1ADRD2HTR2AHTR7HTR6

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 HTR1A 2671/4885DRD2 3970/4885HTR2A 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.