SCHEMBL1021682

SCHEMBL1021682

Cc1cc([Mg]Br)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CD44 P16070 1/20 0.34
MCL1 Q07820 1/20 0.34
S1PR1 P21453 4/20 0.33
CYP3A4 P08684 3/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL30702572 1.00 TSHR (0.35) TSHRCD44MCL1S1PR1CYP3A4
SCHEMBL1138476 0.86 CYP3A4 (0.46) CD44CYP3A4SLC6A2SLC6A3SMN1; SMN2
SCHEMBL155088 0.80 AHR (0.46) TSHRCYP3A4
SCHEMBL1125635 0.78 ALDH1A1 (0.40) TSHRCYP3A4SMN1; SMN2POLB
SCHEMBL29995043 0.73 RAPGEF4 (0.34) KMT2ASLC6A2SLC6A3MEN1SLC6A4
SCHEMBL131767 0.73 ACHE (0.37) TSHRSLC6A2SLC6A3SMN1; SMN2HTR2B
SCHEMBL666611 0.73 RAPGEF4 (0.34) KMT2ASLC6A2SLC6A3MEN1SLC6A4
SCHEMBL665988 0.73 SLC2A1 (0.39) TSHRCYP3A4KMT2ASLC6A3SMN1; SMN2
SCHEMBL1021627 0.72 L3MBTL1 (0.41) TSHRKMT2ASMN1; SMN2NPC1ALOX15
SCHEMBL19357446 0.72 L3MBTL1 (0.38) CYP3A4KCNH2KDM4ESLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4536362-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS Incyte Corporation (US) 2025-04-16 EP disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
WO-2023239768-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION (US) 2023-12-14 WO disclosed
US-20220218732-A1 Selective Inhibitors Of Protein Arginine Methyltransferase 5 (PRMT5) PRELUDE THERAPEUTICS INCORPORATED 2022-07-14 US disclosed
US-11220524-B2 Selective inhibitors of protein arginine methyltransferase 5 (PRMT5) PRELUDE THERAPEUTICS INCORPORATED (US) 2022-01-11 US disclosed
US-20210130388-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) PRELUDE THERAPEUTICS, INCORPORATED 2021-05-06 US disclosed
WO-2020206308-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-10-08 WO disclosed
WO-2018152548-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) PRELUDE THERAPEUTICS, INCORPORATED (US) 2018-08-23 WO disclosed
US-8609713-B2 Pyrrole derivatives and their methods of use ABBVIE INC. (US) 2013-12-17 US disclosed
EP-2314590-A1 Substituted quinolones and methods of use ChemoCentryx, Inc. (US) 2011-04-27 EP disclosed
US-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-13 US disclosed
WO-2008002974-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE ABBOTT LABORATORIES (US) 2008-01-03 WO disclosed
US-20070167443-A1 Substituted quinolones and methods of use CHEMOCENTRYX, INC. (US) 2007-07-19 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 EP disclosed
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES 2002-12-05 US disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 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 (9 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-20080064695-A1 PYRROLE DERIVATIVES AND THEIR METHODS OF USE PYCR1, PPOX, DHPS TSHR 4051/4885CD44 3803/4885MCL1 2826/4885
US-20210130388-A1 SELECTIVE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASE 5 (PRMT5) PRMT5, PRMT6, PRMT1 TSHR 2975/4885CD44 4598/4885MCL1 819/4885
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 TSHR 291/4885CD44 813/4885MCL1 2808/4885
US-20220218732-A1 Selective Inhibitors Of Protein Arginine Methyltransferase 5 (PRMT5) PRMT5, PRMT6, PRMT1 TSHR 2727/4885CD44 4538/4885MCL1 275/4885
US-20070167443-A1 Substituted quinolones and methods of use TOP2A, NQO2, TOP2B TSHR 4372/4885CD44 4302/4885MCL1 68/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 TSHR 331/4885CD44 915/4885MCL1 2565/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG TSHR 2904/4885CD44 4871/4885MCL1 396/4885
US-20020183309-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 TSHR 331/4885CD44 915/4885MCL1 2565/4885
US-11220524-B2 Selective inhibitors of protein arginine methyltransferase 5 (PRMT5) PRMT5, PRMT6, PRMT1 TSHR 2975/4885CD44 4598/4885MCL1 819/4885

“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.