SCHEMBL2808435

SCHEMBL2808435

COc1ccc(CN2CCCc3n[nH]c4nc(N5CCN(Cc6ccccc6)CC5)nc2c34)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NTSR1 P30989 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CASP1 P29466 2/20 0.42
CASP5 P51878 2/20 0.42
CASP4 P49662 1/20 0.42
RAB9A P51151 1/20 0.42
CLPP Q16740 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL2814050 0.95 SIGMAR1 (0.50) SIGMAR1ALDH1A1LMNAHTTMAPK1
SCHEMBL2809635 0.95 SIGMAR1 (0.50) SIGMAR1ALDH1A1LMNAHTTMAPK1
SCHEMBL2809850 0.91 BRS3 (0.42) MAPK1SMN1; SMN2GAACASP1CASP5
SCHEMBL2810300 0.90 BRS3 (0.44) MAPK1SMN1; SMN2GAACASP1CASP5
SCHEMBL537803 0.87 MEN1 (0.43) ALDH1A1HTTMAPK1KDM4ESMN1; SMN2
SCHEMBL14405858 0.87 HSD17B10 (0.43) SIGMAR1ALDH1A1LMNAHTTMAPK1
SCHEMBL13131430 0.86 CASP1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2NPSR1
SCHEMBL2812343 0.84 CLPP (0.45) SIGMAR1ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL2810490 0.82 MAPT (0.45) SIGMAR1ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL2812014 0.82 CASP1 (0.39) ALDH1A1LMNAHTTMAPK1KDM4E

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 SIGMAR1 4535/4885ALDH1A1 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.