SCHEMBL2809524

SCHEMBL2809524

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(N5CCN(c6cnccn6)CC5)nc2c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 4/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
NTSR1 P30989 1/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CFTR P13569 3/20 0.36
NPSR1 Q6W5P4 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2809446 0.88 TSHR (0.38) LMNAL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL13131604 0.87 TSHR (0.40) ADORA2ALMNAL3MBTL1HTTALDH1A1
SCHEMBL2814404 0.86 HRH4 (0.44) LMNAHTTALDH1A1KDM4EMAPK1
SCHEMBL2809473 0.86 TSHR (0.42) LMNAHTTALDH1A1KDM4EMAPK1
SCHEMBL2811750 0.85 HTT (0.47) LMNAHTTALDH1A1KDM4EMAPK1
SCHEMBL538222 0.84 ALDH1A1 (0.42) LMNAL3MBTL1ALDH1A1KDM4EMAPK1
SCHEMBL2814817 0.83 KDM4E (0.42) LMNAHTTALDH1A1KDM4EMAPK1
SCHEMBL2808261 0.83 TSHR (0.45) LMNAHTTALDH1A1KDM4EMAPK1
SCHEMBL2808405 0.83 CFTR (0.49) LMNAHTTALDH1A1KDM4EMAPK1
SCHEMBL2809932 0.79 ALDH1A1 (0.42) LMNAHTTALDH1A1KDM4EMAPK1

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 ADORA2A 470/4885LMNA 2815/4885L3MBTL1 4501/4885

“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.