SCHEMBL2811941

SCHEMBL2811941

c1ccc(CNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 7/20 0.41
HRH1 P35367 2/20 0.40
HRH4 Q9H3N8 2/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
STAT6 P42226 1/20 0.38
BRS3 P32247 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL2812298 0.94 CLPP (0.38) CLPPHRH1HRH4HTTKDM4E
SCHEMBL13131478 0.92 CLPP (0.39) CLPPHRH1HRH4KDM4EALDH1A1
SCHEMBL537583 0.91 CLPP (0.49) CLPPHRH1HRH4KDM4EALDH1A1
SCHEMBL2814510 0.90 KDM4E (0.36) CLPPHRH1HRH4KDM4EALDH1A1
SCHEMBL2810281 0.90 LTA4H (0.41) KDM4EALDH1A1STAT6
SCHEMBL537893 0.89 ALDH1A1 (0.40) HTTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2814795 0.89 ALDH1A1 (0.37) KDM4EALDH1A1LMNAGAASMN1; SMN2
SCHEMBL2811760 0.89 LMNA (0.48) HTTKDM4EALDH1A1LMNAGAA
SCHEMBL2816633 0.88 LMNA (0.43) CLPPKDM4EALDH1A1LMNAGAA
SCHEMBL2812960 0.88 CLPP (0.40) CLPPHRH1HRH4HTTKDM4E

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 7 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
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 CLPP 2832/4885HRH1 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.