SCHEMBL538534

SCHEMBL538534

Fc1cccc(CNc2nc3c4c(n2)NNC4CCN3)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
CDK9 P50750 10/20 0.41
CCNT1 O60563 7/20 0.38
PDE2A O00408 1/20 0.38
PLK4 O00444 1/20 0.37
PAK4 O96013 1/20 0.37
VCP P55072 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL537751 0.86 ROCK1 (0.39) APPADORA3ADORA2AADORA2BADORA1
SCHEMBL2812443 0.83 PKM (0.42) ADORA2AADORA2B
SCHEMBL2813863 0.79 IP6K1 (0.38)
SCHEMBL537733 0.78 KCNH3 (0.42) APPADORA3ADORA2AADORA2BADORA1
SCHEMBL2813066 0.73 ACHE (0.38)
SCHEMBL538533 0.70 APP (0.42) APPCDK9PDE2APLK4PAK4
SCHEMBL16915834 0.65 APP (0.44) APPCDK9PAK4VCPADORA3
SCHEMBL538613 0.64 POLB (0.38) APPADORA2AADORA1
SCHEMBL2809671 0.64 OGA (0.40) VCP
SCHEMBL2810284 0.64 OGA (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
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 APP 3167/4885CDK9 35/4885CCNT1 187/4885

“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.