SCHEMBL951841

SCHEMBL951841

Cc1nc2sccn2c1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.63
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.53
CYP1A2 P05177 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48

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
SCHEMBL953600 0.85 MAPK1 (0.57) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL269695 0.84 MAPK1 (0.65) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL2338659 0.84 MAPK1 (0.65) MAPK1ALOX15ALOX12CYP1A2TDP1
Hydrochloric Acid SCHEMBL10723931 0.81 MAPK1 (0.61) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL13689299 0.80 MAPK1 (0.60) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL10512497 0.80 MAPK1 (0.64) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL9516847 0.79 MAPK1 (0.59) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL12012125 0.79 MAPK1 (0.62) MAPK1ALOX15ALOX12CYP1A2TDP1
Bromide SCHEMBL2334813 0.78 MAPK1 (0.61) MAPK1ALOX15ALOX12CYP1A2TDP1
SCHEMBL952278 0.78 MAPK1 (1.00) MAPK1ALOX15CYP1A2HCRTR1

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-20180155341-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-06-07 US disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
WO-2007008657-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-18 WO disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 MAPK1 3389/4885ALOX15 2590/4885ALOX12 2517/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 MAPK1 38/4885ALOX15 4056/4885ALOX12 4268/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK1 102/4885ALOX15 423/4885ALOX12 298/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 MAPK1 2492/4885ALOX15 2244/4885ALOX12 2136/4885
US-20180155341-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 MAPK1 3763/4885ALOX15 2367/4885ALOX12 2393/4885

“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.