SCHEMBL5157963

SCHEMBL5157963

Cc1ccnc(Nc2nc(-c3ccccn3)cs2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN1 Q92952 2/20 1.00
KCNN2 Q9H2S1 2/20 1.00
KCNN3 Q9UGI6 2/20 1.00
SLC2A1 P11166 4/20 0.97
KMT2A Q03164 12/20 0.73
MEN1 O00255 11/20 0.73
NPC1 O15118 10/20 0.73
RAB9A P51151 9/20 0.73
CASP3 P42574 2/20 0.73
SENP8 Q96LD8 2/20 0.73
SENP7 Q9BQF6 2/20 0.73
SENP6 Q9GZR1 2/20 0.73
MECP2 P51608 1/20 0.72
MBD2 Q9UBB5 1/20 0.72
POLB P06746 3/20 0.67
MAPT P10636 3/20 0.67
NFKB1 P19838 3/20 0.67
NFKB2 Q00653 3/20 0.67
RELA Q04206 3/20 0.67
TDP1 Q9NUW8 2/20 0.67

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
SCHEMBL29601716 1.00 KCNN1 (1.00) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL14743426 0.90 KCNN1 (0.82) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL29497622 0.90 KCNN1 (0.82) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL5173768 0.89 KCNN1 (0.80) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL29601174 0.89 KCNN1 (0.80) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL24358078 0.86 KCNN1 (0.76) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL24358084 0.86 MEN1 (0.80) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL6368980 0.86 KCNN1 (0.75) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL24357992 0.86 KCNN1 (0.75) KCNN1KCNN2KCNN3SLC2A1KMT2A
SCHEMBL30745697 0.86 KCNN1 (0.75) KCNN1KCNN2KCNN3SLC2A1KMT2A

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
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis THE BROAD INSTITUTE, INC. (US) 2019-03-05 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE GENERAL HOSPITAL CORPORATION 2017-10-26 US disclosed
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
WO-2014159938-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2014-10-02 WO disclosed
EP-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 EP disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 WO disclosed
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 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 (5 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-20170305895-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS AADAT, ABAT, AASDHPPT KCNN1 4803/4885KCNN2 4756/4885KCNN3 4739/4885
US-20160031874-A1 SUBSTITUTED AMINOTHIAZOLES FOR THE TREATMENT OF TUBERCULOSIS ABAT, AADAT, AASDHPPT KCNN1 4631/4885KCNN2 4533/4885KCNN3 4618/4885
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA KCNN1 4605/4885KCNN2 4592/4885KCNN3 4470/4885
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators KCNJ2, KCNA3, KCNN3 KCNN1 10/4885KCNN2 6/4885KCNN3 3/4885
US-10221169-B2 Substituted aminothiazoles for the treatment of tuberculosis AADAT, ABAT, AASDHPPT KCNN1 4803/4885KCNN2 4756/4885KCNN3 4739/4885

“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.