SCHEMBL15720883

SCHEMBL15720883

Fc1ccc(-n2cccn2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.53
RXRA P19793 7/20 0.46
GRIN1 Q05586 7/20 0.46
GRIN2B Q13224 7/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
KAT6A Q92794 2/20 0.44
PDK2 Q15119 1/20 0.43
TRPV3 Q8NET8 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3103821 0.84 NOTUM (0.58) NOTUMRXRAGRIN1GRIN2BKDM4E
SCHEMBL8202120 0.79 NOTUM (0.53) NOTUMRXRAGRIN1GRIN2BKDM4E
SCHEMBL15057189 0.79 NOTUM (0.53) NOTUMKDM4EALDH1A1MAPK1KAT6A
SCHEMBL11485495 0.79 KDM4E (0.49) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL8104472 0.77 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPK1KAT6A
SCHEMBL7027881 0.76 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1KAT6A
SCHEMBL18725354 0.76 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1KAT6A
SCHEMBL3465077 0.76 NOTUM (0.49) NOTUMRXRAKDM4EALDH1A1MAPK1
SCHEMBL26921977 0.76 NOTUM (0.58) NOTUMKDM4EALDH1A1MAPK1PDK2
SCHEMBL27926581 0.76 NOTUM (0.49) NOTUMKDM4EALDH1A1MAPK1PDK2

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-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2023-01-26 US disclosed
US-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS TEON THERAPEUTICS INC (US) 2023-01-26 US disclosed
CN-114667287-A Adenosine A2A receptor antagonists and uses thereof 泰昂治疗公司 2022-06-24 CN disclosed
EP-3999513-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS AND USES THEREOF Teon Therapeutics, Inc. (US) 2022-05-25 EP disclosed
WO-2021011670-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2021011670-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
US-9604964-B2 Dihydropyrazole GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2925749-B1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-10-26 EP disclosed
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-10-13 US disclosed
EP-2925749-A1 DIHYDROPYRAZOLE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2015-10-07 EP disclosed
WO-2014078611-A1 DIHYDROPYRAZOLE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-22 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 (2 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-20230024108-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA2B, ADORA3 NOTUM 4731/4885RXRA 234/4885GRIN1 562/4885
US-20160297797-A1 DIHYDROPYRAZOLE GPR40 MODULATORS GPR55, GPR65, GPR35 NOTUM 3629/4885RXRA 881/4885GRIN1 173/4885

“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.