SCHEMBL2816737

SCHEMBL2816737

Cc1ccc(C)c(CCNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
HRH1 P35367 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
PARP1 P09874 1/20 0.34
CLPP Q16740 3/20 0.34
AKT1 P31749 2/20 0.33
MYLK Q15746 2/20 0.33
MAPK14 Q16539 2/20 0.33
BRS3 P32247 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL2814442 0.91 CLPP (0.39) HRH1HRH4LMNAMAPTCLPP
SCHEMBL2811032 0.88 CLPP (0.40) ACHEHRH1HRH4CLPPAKT1
SCHEMBL14405859 0.88 HRH4 (0.41) HRH1HRH4LMNACLPPAKT1
SCHEMBL2814261 0.84 CLPP (0.39) HRH1HRH4CLPPAKT1MYLK
SCHEMBL14405856 0.84 AKT1 (0.38) ACHEHRH1HRH4MAPTCLPP
SCHEMBL2816451 0.84 CLPP (0.39) HRH1HRH4MAPTCLPPAKT1
SCHEMBL2813041 0.83 HTR1A (0.40) KMT2A
SCHEMBL2816666 0.83 KDM4E (0.41) ACHEHRH1HRH4LMNAMAPT
SCHEMBL2809474 0.82 EIF2AK2 (0.37) MAPT
SCHEMBL537893 0.82 ALDH1A1 (0.40) LMNABRS3HTTKDM4EALDH1A1

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 ACHE 4402/4885HRH1 2327/4885HRH4 1891/4885

“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.