SCHEMBL2809538

SCHEMBL2809538

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.41
DNMT3A Q9Y6K1 2/20 0.41
CNR2 P34972 4/20 0.40
EED O75530 2/20 0.40
KCNH2 Q12809 2/20 0.40
MAPT P10636 2/20 0.40
TACR2 P21452 2/20 0.40
TACR1 P25103 2/20 0.40
HRH1 P35367 2/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
HLA-A P04439 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2814492 0.95 TSHR (0.37) MAPTMEN1LMNATP53CYP1A2
SCHEMBL2809955 0.90 MAPT (0.37) EHMT2DNMT3AMAPTMEN1LMNA
SCHEMBL2810912 0.90 ADORA3 (0.42) EHMT2DNMT3AMAPTHRH1MEN1
SCHEMBL2816710 0.88 EHMT2 (0.43) EHMT2DNMT3ACNR2EEDKCNH2
SCHEMBL2810452 0.88 NR1I3 (0.38) KCNH2MAPTMEN1LMNATP53
SCHEMBL2812459 0.88 HRH3 (0.39) CNR2MAPTMEN1MLNRLMNA
SCHEMBL2814367 0.86 OGA (0.41) MEN1CYP1A2CYP3A4CYP2D6DRD4
SCHEMBL2809367 0.85 CNR2 (0.40) EHMT2DNMT3ACNR2EEDKCNH2
SCHEMBL2812032 0.85 PDE5A (0.38) EHMT2DNMT3AMAPTMEN1LMNA
SCHEMBL2812798 0.84 ACHE (0.46) EHMT2DNMT3AHRH1MEN1KMT2A

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 2966/4885CNR2 1666/4885

“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.