SCHEMBL16093766

SCHEMBL16093766

NNC(=O)c1cc(C(F)(F)F)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.51
▸ DDR1 Q08345 1/20 0.49
▸ NOS3 P29474 1/20 0.49
▸ NOS2 P35228 1/20 0.49
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ P2RX7 Q99572 2/20 0.47
▸ GAA P10253 2/20 0.46
▸ TLR7 Q9NYK1 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALKBH2 Q6NS38 1/20 0.45
▸ ALKBH5 Q6P6C2 1/20 0.45
▸ ALKBH3 Q96Q83 1/20 0.45
▸ FTO Q9C0B1 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PYGL P06737 1/20 0.44
▸ PYGM P11217 1/20 0.44
▸ ANO1 Q5XXA6 2/20 0.44
▸ CBLB Q13191 1/20 0.43
▸ TRPA1 O75762 1/20 0.43

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
SCHEMBL30595870 0.83 KDR (0.54) ALDH1A1DDR1GAATLR7ALKBH2
SCHEMBL18422426 0.83 KDR (0.54) ALDH1A1DDR1GAATLR7ALKBH2
SCHEMBL25199807 0.81 DDR1 (0.51) DDR1LOXL2TLR7ALKBH2ALKBH5
SCHEMBL2678073 0.81 KMT2A (0.56) ALDH1A1DDR1NOS3NOS2GAA
SCHEMBL29838843 0.80 NOS3 (0.52) ALDH1A1DDR1NOS3NOS2GAA
SCHEMBL20956597 0.80 ALDH1A1 (0.45) ALDH1A1DDR1NOS3NOS2LOXL2
Hydrochloric Acid SCHEMBL29537174 0.79 KMT2A (0.54) ALDH1A1DDR1NOS3NOS2GAA
SCHEMBL25797141 0.79 DDR1 (0.49) ALDH1A1DDR1LOXL2GAATLR7
SCHEMBL29537506 0.79 KDM4E (0.55) ALDH1A1NOS3NOS2TLR7KDM4E
SCHEMBL222146 0.79 KDM4E (0.55) ALDH1A1NOS3NOS2TLR7KDM4E

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 — — US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 — — EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 — — US disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 — — WO disclosed
EP-3309161-B1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION COMPRISING A P2X7 MODULATOR JANSSEN PHARMACEUTICA NV (BE) 2019-12-18 — — EP disclosed
EP-3309161-B1 PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION COMPRISING A P2X7 MODULATOR JANSSEN PHARMACEUTICA NV (BE) 2019-12-18 — — EP disclosed
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 — — US disclosed
US-10053462-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2018-08-21 — — US disclosed
EP-3309161-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-04-18 — — EP disclosed
EP-3309161-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-04-18 — — EP disclosed
US-20170088550-A1 P2X7 MODULATORS Jansssen Pharmaceutica NV (BE) 2017-03-30 — — US disclosed
US-9540388-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2017-01-10 — — US disclosed
US-9540388-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2017-01-10 — — US disclosed
US-20160039836-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-11 — — US disclosed
US-20160016962-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-01-21 — — US disclosed
EP-2970287-A1 P2X7 MODULATORS Janssen Pharmaceutica, N.V. (BE) 2016-01-20 — — EP disclosed
EP-2970304-A1 P2X7 MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-01-20 — — EP disclosed
WO-2014152537-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 — — WO disclosed
WO-2014152621-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 — — WO disclosed
WO-2014152621-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 — — WO 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 (7 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-10053462-B2 P2X7 modulators P2RX1, P2RX5, P2RX7 ALDH1A1 997/4885NPSR1 210/4885DDR1 1809/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 ALDH1A1 1260/4885NPSR1 2949/4885DDR1 4560/4885
US-20160016962-A1 P2X7 MODULATORS P2RX5, P2RX1, P2RX7 ALDH1A1 2378/4885NPSR1 55/4885DDR1 2170/4885
US-20160039836-A1 P2X7 MODULATORS P2RX1, P2RX7, P2RX5 ALDH1A1 1077/4885NPSR1 220/4885DDR1 1686/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT ALDH1A1 658/4885NPSR1 1057/4885DDR1 4693/4885
US-10053463-B2 Substituted [1,2,4]triazolo[4,3-a]pyrazines as P2X7 modulators HTR5A, P2RX5, P2RX3 ALDH1A1 2966/4885NPSR1 56/4885DDR1 2099/4885
US-20170088550-A1 P2X7 MODULATORS P2RX1, P2RX5, P2RX7 ALDH1A1 997/4885NPSR1 210/4885DDR1 1809/4885

“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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