SCHEMBL1862003

SCHEMBL1862003

CCOC(=O)c1cnc(-c2cccnc2)nc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 3/20 0.62
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 1/20 0.57
ATM Q13315 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 2/20 0.56
DCTPP1 Q9H773 1/20 0.55
CYP1A2 P05177 5/20 0.54
POLB P06746 3/20 0.54
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 1/20 0.49
MMP2 P08253 1/20 0.47

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
SCHEMBL3228832 0.88 DCTPP1 (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL2087835 0.87 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL1866781 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6872795 0.86 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12929685 0.83 MAPT (0.55) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12929345 0.83 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12929724 0.82 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL4951430 0.82 CYP1A2 (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12929607 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL6877073 0.82 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTSMN1; SMN2LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
EP-2493877-B1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-17 EP disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
US-8513271-B2 Pyrimidine compounds as delta opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US disclosed
EP-2493877-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
WO-2011053705-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 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 (2 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-20110105520-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ALDH1A1 238/4885KDM4E 3770/4885MAPT 2667/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 ALDH1A1 238/4885KDM4E 3770/4885MAPT 2667/4885

“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.