SCHEMBL2814652

SCHEMBL2814652

c1ccc(N2CCC3NNc4nc(NCCN5CCOCC5)nc2c43)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 3/20 0.45
RAB9A P51151 1/20 0.43
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
TSHR P16473 1/20 0.40
TOP2A P11388 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
EIF2AK2 P19525 1/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL2812174 0.85 LMNA (0.51) MEN1KMT2ALMNARAB9APIK3CA
SCHEMBL538613 0.82 POLB (0.38) MEN1KMT2ALMNAGAAPOLB
SCHEMBL2814505 0.80 KDM1A (0.46) MEN1KMT2ALMNARAB9ATSHR
SCHEMBL2812923 0.80 ESR2 (0.47)
SCHEMBL2810442 0.80 HTR7 (0.38) HTR7HTR6
SCHEMBL2812432 0.78 APP (0.40) MEN1KMT2ABACE1L3MBTL1ACHE
SCHEMBL2812321 0.78 ACHE (0.38) MEN1KMT2APIK3CABACE1KDM4E
SCHEMBL538655 0.76 PIK3CA (0.45) MEN1KMT2ALMNARAB9APIK3CA
SCHEMBL2816638 0.76 LMNA (0.39) MEN1KMT2ALMNAHTR7ACHE
SCHEMBL537816 0.75 MAPK7 (0.40)

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 MEN1 1767/4885KMT2A 2836/4885LMNA 2815/4885

“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.