SCHEMBL17583114

SCHEMBL17583114

CCOC(=O)C(F)(F)c1ccc(C)nc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ACSS2 Q9NR19 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL17113764 0.86 POLB (0.49) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL14330640 0.85 POLB (0.48) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL30353376 0.85 POLB (0.51) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL17315773 0.85 GAA (0.51) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL17410229 0.85 POLB (0.51) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL32691000 0.84 POLB (0.47) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL13199136 0.83 TSHR (0.49) POLBACSS2TSHRKDM4EALDH1A1
SCHEMBL18674565 0.80 POLB (0.46) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL23169307 0.79 L3MBTL1 (0.45) POLBGAASMN1; SMN2HPGDACSS2
SCHEMBL15018084 0.79 KDM4E (0.50) POLBGAASMN1; SMN2HPGDACSS2

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 19 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
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-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-07-24 — — 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-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-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-07-27 — — US disclosed
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-04-13 — — 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-9567341-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2017-02-14 — — US disclosed
WO-2016044323-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-24 — — WO disclosed
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-03-17 — — 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 (6 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-10030026-B2 Difluoroethylpyridine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B POLB 2809/4885GAA 1986/4885SMN1; SMN2 2657/4885
US-20170209449-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B POLB 2316/4885GAA 3162/4885SMN1; SMN2 3078/4885
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B POLB 2316/4885GAA 3162/4885SMN1; SMN2 3078/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B POLB 2316/4885GAA 3162/4885SMN1; SMN2 3078/4885
US-20170101412-A1 DIFLUOROETHYLPYRIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B POLB 2809/4885GAA 1986/4885SMN1; SMN2 2657/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B POLB 2316/4885GAA 3162/4885SMN1; SMN2 3078/4885

“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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