SCHEMBL2811694

SCHEMBL2811694

c1ccc(CN2CCN(c3nc4c5c(n[nH]c5n3)CCN4c3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
DRD4 P21917 1/20 0.45
CASP1 P29466 1/20 0.45
CASP5 P51878 1/20 0.45
NPSR1 Q6W5P4 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
PIK3CA P42336 3/20 0.41
HPGD P15428 1/20 0.40
ACHE P22303 3/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 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
SCHEMBL14405861 0.89 MAPT (0.48) GAANPSR1MAPTMAPK1LMNA
SCHEMBL2813429 0.87 ALDH1A1 (0.41) GAANPSR1KDM4EMAPTLMNA
SCHEMBL2812138 0.84 PIK3CA (0.52) GAAKDM4EMAPTLMNAHTT
SCHEMBL2808533 0.84 PIK3CA (0.45) GAAMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL2812360 0.84 DRD4 (0.43) GAADRD4CASP1CASP5NPSR1
SCHEMBL2810794 0.82 GAA (0.45) GAACASP1CASP5NPSR1KDM4E
SCHEMBL2808367 0.80 CASP1 (0.48) GAADRD4CASP1CASP5NPSR1
SCHEMBL2809635 0.79 SIGMAR1 (0.50) GAACASP1CASP5NPSR1KDM4E
SCHEMBL2814050 0.79 SIGMAR1 (0.50) GAACASP1CASP5NPSR1KDM4E
SCHEMBL2808212 0.79 SIGMAR1 (0.47) GAACASP1CASP5NPSR1KDM4E

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 GAA 1908/4885DRD4 3077/4885CASP1 1745/4885

“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.