SCHEMBL2808410

SCHEMBL2808410

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(N5CCN(CCO)CC5)nc2c43)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
CFTR P13569 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 3/20 0.40
KDM4E B2RXH2 3/20 0.40
SIGMAR1 Q99720 2/20 0.40
SRC P12931 1/20 0.40
DNMT3A Q9Y6K1 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
CHRNA7 P36544 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 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
SCHEMBL2814408 0.91 HRH4 (0.43) SIGMAR1DNMT3A
SCHEMBL2810409 0.89 SRC (0.43) HTR2ACFTRALDH1A1HTTKDM4E
SCHEMBL2809475 0.89 DNMT3A (0.47) ALDH1A1HTTKDM4ESIGMAR1DNMT3A
SCHEMBL2811753 0.88 EHMT2 (0.42) HTTSIGMAR1DNMT3ASMN1; SMN2MEN1
SCHEMBL538223 0.86 MAPT (0.41) ALDH1A1HTTSIGMAR1DNMT3ATSHR
SCHEMBL2809936 0.86 ALDH1A1 (0.41) ALDH1A1HTTKDM4ESIGMAR1TSHR
SCHEMBL2814820 0.86 DNMT3A (0.46) ALDH1A1KDM4EDNMT3ATSHRSMN1; SMN2
SCHEMBL2808265 0.86 TSHR (0.43) ALDH1A1KDM4ETSHRLMNASMN1; SMN2
SCHEMBL2813121 0.84 POLB (0.47) ALDH1A1HTTKDM4EHPGDTSHR
SCHEMBL2809526 0.83 TSHR (0.40) ALDH1A1HTTKDM4ESIGMAR1DNMT3A

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 HTR2A 2863/4885CFTR 1118/4885ALDH1A1 924/4885

“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.