SCHEMBL2814033

SCHEMBL2814033

CSc1nc(O)c2c(n1)N(Cc1ccccc1)CCC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.36
CYP2C9 P11712 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA2A P29274 1/20 0.36
MDM2 Q00987 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 3/20 0.35

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
SCHEMBL2812028 0.78 DDB1 (0.33) DDB1CRBNALDH1A1L3MBTL1LMNA
SCHEMBL2812603 0.74 KMT2A (0.42) ALDH1A1SMN1; SMN2KMT2ACYP2C9POLB
SCHEMBL2809958 0.72 BRS3 (0.39) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL537883 0.71 SMN1; SMN2 (0.39) DDB1CRBNALDH1A1LMNASMN1; SMN2
SCHEMBL13131651 0.69 SMN1; SMN2 (0.41) ALDH1A1LMNAHTTSMN1; SMN2KMT2A
SCHEMBL19616762 0.69 GAA (0.46) ALDH1A1SMN1; SMN2KMT2ACYP2C9POLB
SCHEMBL14405863 0.69 ALDH1A1 (0.39) ALDH1A1LMNANPSR1HTTSMN1; SMN2
SCHEMBL28529445 0.67 GAA (0.42) ALDH1A1SMN1; SMN2KMT2ACYP2C9GAA
SCHEMBL19892904 0.67 DDB1 (0.47) DDB1CRBNALDH1A1L3MBTL1LMNA
SCHEMBL537635 0.66 SIGMAR1 (0.42) ALDH1A1LMNANPSR1HTTSMN1; 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 DDB1 636/4885CRBN 2735/4885ALDH1A1 924/4885

“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.