SCHEMBL17583187

SCHEMBL17583187

OCC(F)(F)c1ccc(CF)cn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.38
▸ TKT P29401 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.34
▸ DAO P14920 3/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP3A5 P20815 1/20 0.31

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
SCHEMBL17583207 0.77 KDM5B (0.36) GRIN2BKDM5BTRPV4
SCHEMBL30947595 0.77 TRPV4 (0.36) GRIN2BTKTTRPV4DAOKDM1A
SCHEMBL3396791 0.76 ALDH1A1 (0.37) KDM5BTRPV4
SCHEMBL17583179 0.76 GRIN2B (0.37) GRIN2BKDM5BTRPV4CYP3A4
SCHEMBL3892170 0.76 CCR1 (0.40) GRIN2BTKTKDM5BTRPV4
SCHEMBL17315793 0.76 KMT2A (0.44) GRIN2BKDM5BTRPV4
SCHEMBL13718708 0.75 CCR9 (0.37) GRIN2BTKTTRPV4DAOKDM1A
SCHEMBL18499517 0.73 ALDH1A1 (0.38) KDM5BTRPV4
SCHEMBL17583202 0.73 GRIN2B (0.39) GRIN2BKDM5BTRPV4
SCHEMBL17583184 0.72 CA2 (0.46) GRIN2BDAO

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 GRIN2B 3/4885TKT 3229/4885KDM5B 1281/4885
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B GRIN2B 3/4885TKT 3229/4885KDM5B 1281/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B GRIN2B 3/4885TKT 3229/4885KDM5B 1281/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B GRIN2B 3/4885TKT 3229/4885KDM5B 1281/4885

“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.

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