SCHEMBL1808671

SCHEMBL1808671

COc1ccc(Oc2nc([S+]([O-])c3ccc(OC)cc3)ncc2NC[C@@H]2CCCN2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
CHRNA3 P32297 5/20 0.34
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34
CHRNB4 P30926 3/20 0.34
LTA4H P09960 1/20 0.34
SYK P43405 2/20 0.33
KCNH2 Q12809 2/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
AURKB Q96GD4 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CHEK2 O96017 1/20 0.32

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
SCHEMBL16519796 1.00 MERTK (0.36) MERTKCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL1808792 0.83 CYP1A2 (0.39) MERTKCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL12620407 0.81 DAPK1 (0.46) MERTKSYKKCNH2MAPK3MAPK1
SCHEMBL12653247 0.79 ALDH1A1 (0.46) MERTKCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL1806946 0.79 CYP1A2 (0.38) MERTKCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL12653151 0.79 CYP1A2 (0.38) MERTKCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL1803527 0.76 LTA4H (0.41) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL12620446 0.76 MERTK (0.36) MERTKCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL12620422 0.75 HTR2C (0.40) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL1807618 0.75 PRMT5 (0.40) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US disclosed
US-8895573-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-11-25 US disclosed
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US disclosed
US-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-03-06 US disclosed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394809-B2 Phenoxy-substituted pyrimidines as opioid receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-2493863-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2012-09-05 EP disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
WO-2011053701-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 WO disclosed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2011-05-05 US disclosed
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS 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-20140066422-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 MERTK 1738/4885CYP1A2 334/4885CYP2D6 280/4885
US-20110105455-A1 PHENOXY-SUBSTITUTED PYRIMIDINES AS OPIOID RECEPTOR MODULATORS OPRK1, OPRL1, OPRM1 MERTK 1738/4885CYP1A2 334/4885CYP2D6 280/4885

“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.