SCHEMBL2814510

SCHEMBL2814510

c1ccc(CN2CCc3n[nH]c4nc(NCc5cccc(-c6ccccc6)c5)nc2c34)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CLPP Q16740 5/20 0.35
HRH1 P35367 2/20 0.35
HRH4 Q9H3N8 2/20 0.35
HRH2 P25021 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HUWE1 Q7Z6Z7 1/20 0.35
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
CXCR4 P61073 1/20 0.34
STAT6 P42226 1/20 0.34
TPH1 P17752 1/20 0.34
BRS3 P32247 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
GPR68 Q15743 1/20 0.34

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 0.92 CLPP (0.38) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2811941 0.90 CLPP (0.41) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2812210 0.86 SIGMAR1 (0.46) KDM4EALDH1A1MAPTCLPP
SCHEMBL2808422 0.86 MRGPRX1 (0.40) HRH1HRH4HRH2HRH3
SCHEMBL2814795 0.84 ALDH1A1 (0.37) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2810281 0.84 LTA4H (0.41) KDM4EALDH1A1STAT6
SCHEMBL2816402 0.84 CLPP (0.51) KDM4EALDH1A1LMNAMAPTKMT2A
SCHEMBL2816678 0.84 CYP1A2 (0.46) LMNAKMT2AACHE
SCHEMBL2812960 0.83 CLPP (0.40) KDM4EALDH1A1MAPTKMT2ACLPP
SCHEMBL13131478 0.83 CLPP (0.39) KDM4EALDH1A1LMNAMAPTCLPP

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 KDM4E 2749/4885ALDH1A1 924/4885LMNA 2815/4885

“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.