SCHEMBL2812993

SCHEMBL2812993

CC(O)CNc1nc2c3c(n[nH]c3n1)CCN2Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.39
CDK1 P06493 2/20 0.39
FLT3 P36888 1/20 0.37
MAPK1 P28482 1/20 0.36
BRS3 P32247 5/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
GBA1 P04062 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNE1 P24864 2/20 0.35
ESR1 P03372 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HRH1 P35367 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
STAT6 P42226 1/20 0.34

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
SCHEMBL2813731 0.89 CTSS (0.40) CDK1MAPK1BRS3KDM4EALDH1A1
SCHEMBL2811941 0.87 CLPP (0.41) BRS3KDM4EALDH1A1KMT2AGAA
SCHEMBL2808279 0.85 BRS3 (0.41) MAPK1BRS3KDM4EALDH1A1KMT2A
SCHEMBL537893 0.84 ALDH1A1 (0.40) FLT3MAPK1BRS3KDM4EALDH1A1
SCHEMBL2812978 0.83 PKM (0.36) CDK2MAPK1BRS3KDM4EALDH1A1
SCHEMBL2812298 0.82 CLPP (0.38) KDM4EALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL2810352 0.82 BRS3 (0.40) MAPK1BRS3KDM4EALDH1A1KMT2A
SCHEMBL537583 0.81 CLPP (0.49) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL2814795 0.81 ALDH1A1 (0.37) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL2816633 0.81 LMNA (0.43) BRS3KDM4EALDH1A1KMT2AMEN1

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 CDK2 8/4885CDK1 41/4885FLT3 124/4885

“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.