SCHEMBL537584

SCHEMBL537584

COc1ccc(CN2CCC3NNc4nc(NCc5ccccc5)nc2c43)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
BACE1 P56817 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR7 Q9NYK1 2/20 0.44
CLPP Q16740 1/20 0.41
HRH1 P35367 3/20 0.40
HRH4 Q9H3N8 3/20 0.40
APP P05067 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
ACP1 P24666 1/20 0.40
EHMT2 Q96KQ7 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
MAPT P10636 1/20 0.38
SLC2A1 P11166 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL2812933 0.93 CLK4 (0.41) ACHEBACE1MEN1KMT2ATLR7
SCHEMBL2813941 0.92 ADORA3 (0.41) ACHEBACE1MEN1KMT2ATLR7
SCHEMBL2810273 0.92 ADORA3 (0.41) ACHEBACE1MEN1KMT2ATLR7
SCHEMBL2812972 0.92 SIGMAR1 (0.38) ACHEBACE1MEN1KMT2ATLR7
SCHEMBL2811945 0.91 ACHE (0.38) ACHEBACE1MEN1KMT2AHRH1
SCHEMBL2812214 0.91 ADORA2A (0.42) APPSIGMAR1
SCHEMBL2816659 0.90 ALDH1A1 (0.41) ACHEBACE1MEN1KMT2A
SCHEMBL2813066 0.90 ACHE (0.38) ACHEBACE1MEN1KMT2ATLR7
SCHEMBL2813810 0.89 CXCR4 (0.45) ACHEBACE1MEN1KMT2ATLR7
SCHEMBL2813447 0.89 MAPT (0.41) ACHEBACE1MEN1KMT2ASIGMAR1

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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP disclosed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 ACHE 4402/4885BACE1 3588/4885MEN1 1767/4885

“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.