SCHEMBL2810490

SCHEMBL2810490

COc1cccc(N2CCN(c3nc4c5c(n[nH]c5n3)CCN4Cc3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GFER P55789 2/20 0.43
DRD4 P21917 1/20 0.43
NPC1 O15118 2/20 0.43
DNMT3A Q9Y6K1 2/20 0.42
CASP1 P29466 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
HSD17B10 Q99714 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC2A1 P11166 1/20 0.40
SLC2A2 P11168 1/20 0.40

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
SCHEMBL14405858 0.91 HSD17B10 (0.43) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2812360 0.89 DRD4 (0.43) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2809635 0.87 SIGMAR1 (0.50) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2814050 0.87 SIGMAR1 (0.50) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2814247 0.85 SIGMAR1 (0.47) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2812014 0.84 CASP1 (0.39) MAPTTSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL2809499 0.84 HTR6 (0.46) KDM4EALDH1A1GAA
SCHEMBL2813100 0.84 ADRA1D (0.44) DRD4
SCHEMBL2811719 0.83 GAA (0.41) MAPTTSHRALDH1A1SMN1; SMN2DRD4
SCHEMBL2812210 0.83 SIGMAR1 (0.46) MAPTTSHRKDM4EALDH1A1SMN1; SMN2

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 MAPT 2947/4885TSHR 3555/4885KDM4E 2749/4885

“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.