SCHEMBL5451848

SCHEMBL5451848

COc1ccccc1-c1cc(N)n2nccc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.57
CDK9 P50750 1/20 0.57
HSP90AA1 P07900 2/20 0.51
HSP90AB1 P08238 1/20 0.50
ADORA2A P29274 2/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
KCNN3 Q9UGI6 1/20 0.43
PIK3CG P48736 1/20 0.43
CHRNA7 P36544 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ATR Q13535 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TLR8 Q9NR97 1/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL12953149 0.84 CCNT1 (0.54) CCNT1CDK9HSP90AA1HSP90AB1ADORA2A
SCHEMBL7846384 0.82 CDK9 (0.55) CCNT1CDK9ADORA2AALDH1A1GAA
SCHEMBL31560199 0.81 KDM4E (0.56) CCNT1CDK9ALDH1A1GAAKDM4E
SCHEMBL7846659 0.79 HSP90AA1 (0.49) CCNT1CDK9HSP90AA1HSP90AB1ADORA2A
SCHEMBL7836401 0.78 PIK3CG (0.51) ADORA2AALDH1A1GAAKDM4EPOLB
SCHEMBL13993121 0.75 CDK2 (0.62) CCNT1CDK9HSP90AA1HSP90AB1ADORA2A
SCHEMBL5452156 0.75 ALDH1A1 (0.56) ADORA2AALDH1A1GAAKDM4EMAPT
SCHEMBL5452103 0.75 KDM4E (0.56) CCNT1CDK9ALDH1A1GAAKDM4E
SCHEMBL7843308 0.75 CCNT1 (0.45) CCNT1CDK9ADORA2AALDH1A1KDM4E
SCHEMBL5456702 0.75 CCNT1 (0.58) CCNT1CDK9ALDH1A1GAAKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060595-A1 Novel fused heterocyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-15 US disclosed
EP-1671962-A1 NOVEL FUSED HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-21 EP disclosed
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP 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-20070060595-A1 Novel fused heterocyclic compound and use thereof JUN, CHUK, RELA CCNT1 105/4885CDK9 363/4885HSP90AA1 2478/4885

“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.