SCHEMBL2816710

SCHEMBL2816710

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCCc5ccc(F)cc5)nc2c43)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.43
DNMT3A Q9Y6K1 2/20 0.43
KCNH2 Q12809 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
EED O75530 2/20 0.41
MAPT P10636 2/20 0.41
SSTR5 P35346 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
TACR1 P25103 2/20 0.41
HRH1 P35367 2/20 0.41
MEN1 O00255 1/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
HLA-A P04439 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL2814452 0.96 SMN1; SMN2 (0.41) EHMT2DNMT3ASMN1; SMN2MAPTADORA3
SCHEMBL2812219 0.93 MAPT (0.42) EHMT2SMN1; SMN2MAPTADORA3MEN1
SCHEMBL2812911 0.91 MAPT (0.38) EHMT2SMN1; SMN2MAPTADORA3MEN1
SCHEMBL2810354 0.90 MAPT (0.39) EHMT2SMN1; SMN2MAPTMEN1MLNR
SCHEMBL2809631 0.89 MAPT (0.37) EHMT2SMN1; SMN2MAPTADORA3MEN1
SCHEMBL2813950 0.89 OGA (0.40) SMN1; SMN2MAPTMEN1OPRM1KMT2A
SCHEMBL2809538 0.88 EHMT2 (0.41) EHMT2DNMT3AKCNH2SMN1; SMN2EED
SCHEMBL2808272 0.88 ACHE (0.46) EHMT2DNMT3AHRH1MEN1KMT2A
SCHEMBL2811021 0.87 BCHE (0.40) EHMT2MAPTMEN1KMT2A
SCHEMBL2814240 0.87 ACHE (0.39) EHMT2MAPTMEN1DRD2DRD4

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 3441/4885DNMT3A 2966/4885KCNH2 3461/4885

“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.