SCHEMBL17583126

SCHEMBL17583126

O=S(=O)(OCC(F)(F)c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.38
▸ MIF P14174 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CYP3A4 P08684 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL17583151 0.86 KMT2A (0.46) CA2CA1TSHRKMT2AALDH1A1
SCHEMBL17583209 0.84 CA2 (0.39) CA2CA1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL507274 0.84 CA2 (0.42) CA2CA1CNR1TSHRKMT2A
SCHEMBL17583128 0.83 CA2 (0.44) CA2CA1TSHRMAPTKMT2A
SCHEMBL1561227 0.81 KIF11 (0.37) CA2CA1HTR2AHTR2CSLC6A4
SCHEMBL17583205 0.80 CA2 (0.36) CA2CA1KMT2A
SCHEMBL17583189 0.76 CA2 (0.40) CA2CA1L3MBTL1
SCHEMBL5676893 0.75 CA2 (0.65) CA2CA1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL28595015 0.74 CA2 (0.63) CA2CA1MAPTKMT2A
SCHEMBL17315781 0.73 CA2 (0.40) CA2CA1MAPTKMT2APTGS2

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 16 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-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-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
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 (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 CA2 3557/4885MIF 3596/4885CA1 2057/4885
US-10420768-B2 Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists GRIN1, GRIN2A, GRIN2B CA2 3557/4885MIF 3596/4885CA1 2057/4885
US-20160075713-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B CA2 3557/4885MIF 3596/4885CA1 2057/4885
US-20180303834-A1 PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN1, GRIN2A, GRIN2B CA2 3557/4885MIF 3596/4885CA1 2057/4885

“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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