SCHEMBL2608428

SCHEMBL2608428

CC(C)(C)c1ccnc2cc(Cl)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
SOS2 Q07890 1/20 0.56
CYP1A2 P05177 1/20 0.50
CHKA P35790 2/20 0.48
KMT2A Q03164 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 3/20 0.47
CCR1 P32246 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.46
IDE P14735 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TLR8 Q9NR97 1/20 0.46
FERMT2 Q96AC1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT5B Q4FZB7 1/20 0.44

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
SCHEMBL11891560 0.86 NR4A2 (0.56) NR4A2SOS2CYP1A2CHKAKMT2A
SCHEMBL18710418 0.85 NR4A2 (0.51) NR4A2SOS2CYP1A2CHKAKMT2A
SCHEMBL669631 0.82 NR4A2 (0.56) NR4A2SOS2CYP1A2CHKAKMT2A
SCHEMBL27484900 0.81 NR4A2 (0.51) NR4A2SOS2CYP1A2CHKAKMT2A
SCHEMBL10315757 0.80 HTR1A (0.51) CYP1A2KMT2AMAPTCCR1MEN1
SCHEMBL4548621 0.80 FGFR2 (0.42) TDP1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL27485590 0.80 NR4A2 (0.50) NR4A2SOS2CYP1A2CHKAKMT2A
SCHEMBL14549628 0.79 FERMT2 (0.45) FERMT2
SCHEMBL9541492 0.78 NR4A2 (0.51) NR4A2SOS2CYP1A2CHKAKMT2A
SCHEMBL669359 0.77 NR4A2 (0.50) NR4A2SOS2CYP1A2CHKAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 US disclosed
US-10450299-B2 Substituted quinazoline derivatives as DNA methyltransferase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-10-22 US disclosed
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-05-03 US disclosed
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-05-03 US disclosed
US-9951044-B2 Quinazoline derivatives and their use as DNA methyltransferase inhibitors PIERRE FABRE MEDICAMENT (FR) 2018-04-24 US disclosed
US-9951044-B2 Quinazoline derivatives and their use as DNA methyltransferase inhibitors PIERRE FABRE MEDICAMENT (FR) 2018-04-24 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-7745444-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-29 US disclosed
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS ACHILLION PHARMACEUTICALS, INC. (US) 2010-05-20 US disclosed
US-7574340-B2 Small molecules and a pharmacophore model for inhibition of botulinum toxin and methods of making and using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2009-08-11 US disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-02-19 US disclosed
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-18 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 US disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-7378422-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-27 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 (10 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A NR4A2 1752/4885SOS2 4420/4885CYP1A2 1182/4885
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 NR4A2 2600/4885SOS2 2424/4885CYP1A2 3815/4885
US-10450299-B2 Substituted quinazoline derivatives as DNA methyltransferase inhibitors DNMT1, DNMT3A, DNMT3B NR4A2 1884/4885SOS2 2726/4885CYP1A2 284/4885
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 NR4A2 4130/4885SOS2 4584/4885CYP1A2 4772/4885
US-20090048297-A1 4-AMINO-4-OXOBUTANOYL PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, ZC3HAV1, CCL5 NR4A2 2376/4885SOS2 4681/4885CYP1A2 4528/4885
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 NR4A2 3687/4885SOS2 1274/4885CYP1A2 851/4885
US-20100124545-A1 CYCLIC CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF AS OF HEPATITIS C VIRUS CPS1, CCKAR, C1R NR4A2 1447/4885SOS2 4635/4885CYP1A2 1423/4885
US-20180118717-A1 Substituted Quinazoline Derivatives as DNA Methyltransferase Inhibitors DNMT1, DNMT3A, DNMT3B NR4A2 1884/4885SOS2 2726/4885CYP1A2 284/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 NR4A2 4047/4885SOS2 1413/4885CYP1A2 4271/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 NR4A2 4047/4885SOS2 1413/4885CYP1A2 4271/4885

“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.