SCHEMBL2808568

SCHEMBL2808568

OCCN(Cc1ccccc1)c1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.38
CDK5 Q00535 1/20 0.38
ADORA2A P29274 1/20 0.36
SLC29A1 Q99808 3/20 0.35
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
BRS3 P32247 5/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31

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
SCHEMBL2813848 0.87 CTNNB1 (0.35) BRS3DDB1CRBNNAPEPLD
SCHEMBL13131459 0.80 CFTR (0.36) KMT2AMAPTBRS3ALDH1A1DDB1
SCHEMBL2809643 0.80 CETP (0.42) NAPEPLD
SCHEMBL2811941 0.76 CLPP (0.41) KMT2AMAPTBRS3ALDH1A1DDB1
SCHEMBL2813937 0.76 PIK3CB (0.35) KMT2AMEN1TSHRBRS3ALDH1A1
SCHEMBL2810536 0.75 HTR2A (0.48) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL537883 0.74 SMN1; SMN2 (0.39) ADORA2AKMT2AMAPTMAPK1BRS3
SCHEMBL2811997 0.74 KDM1A (0.44) KMT2AMEN1
SCHEMBL2812038 0.73 BRS3 (0.44) TSHRBRS3L3MBTL1GAAHPGD
SCHEMBL2813749 0.72 KDM4E (0.41) KMT2AMAPTL3MBTL1KDM4ESMN1; SMN2

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 7 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-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
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
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 CDK1 41/4885CDK5 33/4885ADORA2A 470/4885

“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.