SCHEMBL17583121

SCHEMBL17583121

CCOC(=O)C(F)(F)c1ccc(CF)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
KCNQ4 P56696 1/20 0.42
KCNQ5 Q9NR82 1/20 0.42
HDAC4 P56524 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 1/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 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
SCHEMBL14466833 0.90 KCNQ3 (0.42) KCNQ3KCNQ2KCNQ4KCNQ5HDAC4
SCHEMBL17583134 0.89 KCNQ3 (0.42) KCNQ3KCNQ2KCNQ4KCNQ5HDAC4
SCHEMBL14405707 0.87 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5HDAC4
SCHEMBL3891001 0.84 KDM4E (0.48) KCNQ3KCNQ2KCNQ4KCNQ5KDM4E
SCHEMBL20406093 0.82 KMT2A (0.41) KCNQ3KCNQ2KCNQ4KCNQ5KDM4E
SCHEMBL17113764 0.82 POLB (0.49) KDM4EHPGDPOLBGAAMAPK1
SCHEMBL161047 0.82 MAPT (0.42) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL17315771 0.81 GAA (0.54) KDM4EHPGDPOLBGAAMAPK1
SCHEMBL17118220 0.81 GABRA1 (0.37) KCNQ3KCNQ2KCNQ4KCNQ5KDM4E
SCHEMBL14332032 0.81 HTT (0.46) KDM4EPOLBGAAMAPK1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 US disclosed
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-09-24 US disclosed
EP-3194403-B1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS CAYMAN LTD (KY) 2019-02-06 EP disclosed
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-10-25 US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 US disclosed
US-9968610-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (US) 2018-05-15 US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 US disclosed
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 US disclosed
US-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 US disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 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 (4 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-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B KCNQ3 397/4885KCNQ2 263/4885KCNQ4 447/4885
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B KCNQ3 397/4885KCNQ2 263/4885KCNQ4 447/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B KCNQ3 397/4885KCNQ2 263/4885KCNQ4 447/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B KCNQ3 397/4885KCNQ2 263/4885KCNQ4 447/4885

“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.