SCHEMBL538278

SCHEMBL538278

COc1ccc(CN2CCc3n[nH]c4nc(NCCc5c[nH]c6ccc(Cl)cc56)nc2c34)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 3/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HTR2A P28223 3/20 0.45
IP6K1 Q92551 1/20 0.43
HTR1A P08908 2/20 0.43
PTGS2 P35354 1/20 0.41
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2816428 0.96 SNCA (0.45) SNCAMEN1KMT2AHTR2AIP6K1
SCHEMBL14405857 0.93 HTR2A (0.43) HTR2AHTR1ACCNE2CCNE1CDK2
SCHEMBL2808392 0.90 CCNE2 (0.49) MEN1KMT2AHTR2AHTR1ACCNE2
SCHEMBL2814358 0.86 IP6K1 (0.44) MEN1KMT2AHTR2AIP6K1HTR1A
SCHEMBL2812929 0.82 CLK4 (0.43) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL2812182 0.81 HTR1A (0.48) KMT2AHTR2AHTR1ABCHEACHE
SCHEMBL2810268 0.81 CLPP (0.42) KMT2AALDH1A1
SCHEMBL2813934 0.81 CLPP (0.42) KMT2AALDH1A1
SCHEMBL2809363 0.80 GRK6 (0.42) ALDH1A1
SCHEMBL2813047 0.78 MEN1 (0.46) SNCAMEN1KMT2AHTR2AIP6K1

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 8 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 SNCA 3423/4885MEN1 1767/4885KMT2A 2836/4885

“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.