SCHEMBL2810429

SCHEMBL2810429

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
DNMT3A Q9Y6K1 2/20 0.41
TSHR P16473 1/20 0.40
KCNH2 Q12809 2/20 0.40
DRD2 P14416 1/20 0.40
GFER P55789 1/20 0.39
DRD4 P21917 1/20 0.39
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR6 P50406 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37

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
SCHEMBL2812073 0.93 DNMT3A (0.43) ALDH1A1SMN1; SMN2MAPTDNMT3ATSHR
SCHEMBL2809519 0.89 HTR6 (0.45) KDM4EALDH1A1MAPTTSHRCASP1
SCHEMBL2814820 0.89 DNMT3A (0.46) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL2811683 0.87 PTGIR (0.40) KDM4EALDH1A1SMN1; SMN2TSHRHTR6
SCHEMBL2809530 0.85 MAPT (0.44) KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL2815921 0.85 TSHR (0.42) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL2810409 0.85 SRC (0.43) KDM4EALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL2809475 0.83 DNMT3A (0.47) KDM4EALDH1A1SMN1; SMN2MAPTDNMT3A
SCHEMBL2809447 0.82 TSHR (0.37) KDM4ETSHRHTR6
SCHEMBL2809765 0.81 POLB (0.49) KDM4EALDH1A1SMN1; SMN2MAPTKCNH2

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 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.