SCHEMBL2812005

SCHEMBL2812005

c1ccc(CN2CCc3n[nH]c4nc(NCCOc5ccccc5)nc2c34)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTR7 P34969 6/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
STAT6 P42226 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
HTR6 P50406 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DRD4 P21917 1/20 0.33
BRS3 P32247 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL2812046 0.93 CLPP (0.39) KMT2AALDH1A1DRD4KDM4EMAPT
SCHEMBL2811941 0.86 CLPP (0.41) KMT2AALDH1A1STAT6HRH3BRS3
SCHEMBL13131478 0.85 CLPP (0.39) ALDH1A1KDM4ELMNAMAPT
SCHEMBL537893 0.85 ALDH1A1 (0.40) ALDH1A1BRS3KDM4ELMNA
SCHEMBL13131723 0.84 HTR7 (0.39) ALDH1A1HTR7ADRA1DADRA1AADRA1B
SCHEMBL2816633 0.84 LMNA (0.43) KMT2AMEN1ALDH1A1BRS3KDM4E
SCHEMBL2811109 0.83 SIGMAR1 (0.43) DRD4MAPT
SCHEMBL2810268 0.83 CLPP (0.42) KMT2AALDH1A1KDM4EMAPT
SCHEMBL2813934 0.83 CLPP (0.42) KMT2AALDH1A1KDM4EMAPT
SCHEMBL2812210 0.83 SIGMAR1 (0.46) NPC1RAB9AALDH1A1KDM4EMAPT

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 KMT2A 2836/4885MEN1 1767/4885NPC1 701/4885

“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.