SCHEMBL2811753

SCHEMBL2811753

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(N5CCCCC5)nc2c43)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 4/20 0.42
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
HRH2 P25021 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
DNMT3A Q9Y6K1 2/20 0.38
CASP1 P29466 1/20 0.37
CASP4 P49662 1/20 0.37
CASP5 P51878 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
SCHEMBL2809475 0.92 DNMT3A (0.47) GALR2GALR1SIGMAR1MEN1KMT2A
SCHEMBL2814408 0.92 HRH4 (0.43) EHMT2SIGMAR1DNMT3A
SCHEMBL538223 0.91 MAPT (0.41) SIGMAR1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2814820 0.89 DNMT3A (0.46) SMN1; SMN2DNMT3ACASP1CASP4CASP5
SCHEMBL2808265 0.89 TSHR (0.43) MEN1KMT2ASMN1; SMN2NPSR1PKM
SCHEMBL2808410 0.88 HTR2A (0.45) SIGMAR1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2809936 0.87 ALDH1A1 (0.41) SIGMAR1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2811683 0.87 PTGIR (0.40) EHMT2GALR2GALR1SMN1; SMN2NPSR1
SCHEMBL2813884 0.86 HRH3 (0.44) SIGMAR1HRH2MEN1KMT2ANPSR1
SCHEMBL2809526 0.86 TSHR (0.40) EHMT2SIGMAR1MEN1KMT2ASMN1; SMN2

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 EHMT2 3441/4885GALR2 4756/4885GALR1 4765/4885

“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.