SCHEMBL2814817

SCHEMBL2814817

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(N5CCN(c6cccc(OC)c6)CC5)nc2c34)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
DNMT3A Q9Y6K1 2/20 0.41
TSHR P16473 2/20 0.41
SLC2A1 P11166 1/20 0.41
SLC2A2 P11168 1/20 0.41
SLC2A3 P11169 1/20 0.41
GFER P55789 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
OPRK1 P41145 1/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2809473 0.95 TSHR (0.42) KDM4EALDH1A1SMN1; SMN2MAPTDNMT3A
SCHEMBL2814404 0.89 HRH4 (0.44) KDM4EALDH1A1SMN1; SMN2TSHRCASP1
SCHEMBL2810425 0.89 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2811750 0.88 HTT (0.47) KDM4EALDH1A1SMN1; SMN2TSHRCASP1
SCHEMBL538222 0.87 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2808261 0.86 TSHR (0.45) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL2808405 0.85 CFTR (0.49) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL2812071 0.85 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2MAPTDNMT3A
SCHEMBL2809524 0.83 ADORA2A (0.40) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2813116 0.82 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2MAPTTSHR

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 KDM4E 2749/4885ALDH1A1 924/4885SMN1; SMN2 2524/4885

“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.