SCHEMBL537601

SCHEMBL537601

CCOC(=O)C1CCN(Cc2ccc(OC)cc2)c2nc(SC)nc3[nH]nc1c23

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 2/20 0.35
MMP1 P03956 1/20 0.35
MMP13 P45452 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 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
SCHEMBL537709 0.90 SMN1; SMN2 (0.37) POLBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL538369 0.80 ALDH1A1 (0.41) POLBALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL537857 0.76 GAA (0.42) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL537755 0.74 KDM4E (0.39) ALDH1A1KDM4ESMN1; SMN2LMNAGAA
SCHEMBL2833697 0.72 CACNA1G (0.39) ALDH1A1SMN1; SMN2MAPK1MAPTKMT2A
SCHEMBL30323391 0.72 ALDH1A1 (0.52) POLBALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL537858 0.67 PTGIR (0.39) POLBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL537664 0.67 PTGIR (0.39) POLBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL538466 0.66 SIGMAR1 (0.41) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL15303260 0.65 L3MBTL1 (0.43) POLBALDH1A1L3MBTL1KDM4ELMNA

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
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
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

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 POLB 345/4885ALDH1A1 924/4885L3MBTL1 4501/4885

“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.