SCHEMBL2814820

SCHEMBL2814820

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(N5CCN(c6cccc(OC)c6)CC5)nc2c43)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 5/20 0.46
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.39
DRD4 P21917 1/20 0.39
SLC2A1 P11166 1/20 0.39
SLC2A2 P11168 1/20 0.39
SLC2A3 P11169 1/20 0.39
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2809475 0.95 DNMT3A (0.47) DNMT3AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2814408 0.90 HRH4 (0.43) DNMT3ANPC1
SCHEMBL2810429 0.89 KDM4E (0.44) DNMT3AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2811753 0.89 EHMT2 (0.42) DNMT3ASMN1; SMN2CASP1CASP4CASP5
SCHEMBL538223 0.87 MAPT (0.41) DNMT3ASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL2808265 0.86 TSHR (0.43) KDM4ESMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL2808410 0.86 HTR2A (0.45) DNMT3AKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL2812073 0.85 DNMT3A (0.43) DNMT3ASMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL2809526 0.84 TSHR (0.40) DNMT3AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2810498 0.83 DNMT3A (0.44) DNMT3AKDM4ESMN1; SMN2ALDH1A1MAPT

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 2 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-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 DNMT3A 2966/4885KDM4E 2749/4885SMN1; 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.