SCHEMBL8306581

SCHEMBL8306581

Cc1ccc2nccc(N)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.61
HTR1A P08908 3/20 0.54
ADRA1D P25100 3/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
NCF1 P14598 1/20 0.53
SOS2 Q07890 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PARP1 P09874 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL31452673 0.84 NR4A2 (0.61) NR4A2HTR1AADRA1DADRA1AADRA1B
SCHEMBL3071029 0.84 NR4A2 (0.61) NR4A2HTR1AADRA1DADRA1AADRA1B
SCHEMBL30210360 0.79 NR4A2 (0.66) NR4A2NCF1SOS2MEN1KMT2A
SCHEMBL29847401 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL873431 0.79 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL4823097 0.79 NR4A2 (0.66) NR4A2NCF1SOS2MEN1KMT2A
Bromide SCHEMBL5989384 0.78 NR4A2 (0.63) NR4A2NCF1SOS2MEN1KMT2A
SCHEMBL24150113 0.76 NR4A2 (0.61) NR4A2NCF1SOS2MEN1KMT2A
SCHEMBL16289832 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BMEN1
SCHEMBL5539379 0.76 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BMEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
WO-2021262596-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 US disclosed
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 US disclosed
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2015-09-03 US disclosed
US-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 US disclosed
US-9000054-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2015-04-07 US disclosed
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US disclosed
US-8642604-B2 Substituted pyrazolo[3,2-d]pyrimidines as anti-cancer agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 US disclosed
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 US disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
WO-2005016926-A1 PYRIDO [3,4-D] PYRIMIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-02-24 WO disclosed
CN-1034717-A The quinoline and the cinnolines that replace LILLY CO ELI (US) 1989-08-16 CN 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 (8 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-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS NR4A2 2014/4885HTR1A 4489/4885ADRA1D 4791/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 NR4A2 2211/4885HTR1A 4395/4885ADRA1D 4794/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 NR4A2 2211/4885HTR1A 4395/4885ADRA1D 4794/4885
US-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885HTR1A 2609/4885ADRA1D 3790/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885HTR1A 2609/4885ADRA1D 3790/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885HTR1A 2609/4885ADRA1D 3790/4885
US-20160016957-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA NR4A2 3403/4885HTR1A 3921/4885ADRA1D 3827/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 NR4A2 3067/4885HTR1A 2609/4885ADRA1D 3790/4885

“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.