SCHEMBL2590517

SCHEMBL2590517

CNc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.49
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 2/20 0.39
NOTUM Q6P988 2/20 0.39
PDK2 Q15119 1/20 0.39
KMT2A Q03164 2/20 0.39
CLCN2 P51788 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4502559 0.88 CTSS (0.44) P2RX7POLBCTSSCTSKPDK2
SCHEMBL22928093 0.82 CA2 (0.41) ALDH1A1POLBTDP1L3MBTL1PDK2
SCHEMBL11404979 0.80 P2RX7 (0.44) P2RX7ALDH1A1POLBTDP1L3MBTL1
SCHEMBL880789 0.79 ALDH1A1 (0.59) ALDH1A1POLBTDP1L3MBTL1KMT2A
SCHEMBL18130157 0.78 P2RX7 (0.43) P2RX7ALDH1A1POLBTDP1L3MBTL1
Hydrochloric Acid SCHEMBL3601009 0.78 ALDH1A1 (0.66) P2RX7ALDH1A1POLBTDP1L3MBTL1
SCHEMBL14295191 0.78 SLC22A12 (0.41) P2RX7ALDH1A1CTSSCTSKKMT2A
SCHEMBL14295558 0.78 ALDH1A1 (0.53) ALDH1A1POLBTDP1CTSSPDK2
SCHEMBL3788998 0.78 MAPT (0.44) ALDH1A1POLBTDP1L3MBTL1PDK2
SCHEMBL1043059 0.78 P2RX7 (0.57) P2RX7ALDH1A1POLBTDP1L3MBTL1

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
EP-4289839-A1 NOVEL AURORA KINASE INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (Shanghai) Co., Ltd. (CN) 2023-12-13 EP disclosed
CN-114302874-A Indole carboxamide derivatives and pharmaceutical compositions comprising same 国际药品株式会社 2022-04-08 CN disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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 (3 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885ALDH1A1 2150/4885POLB 2345/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885ALDH1A1 2150/4885POLB 2345/4885
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A P2RX7 427/4885ALDH1A1 1231/4885POLB 4156/4885

“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.