SCHEMBL19743855

SCHEMBL19743855

COc1c(F)ccc(F)c1CN

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.39
CD274 Q9NZQ7 5/20 0.38
HTR2A P28223 5/20 0.35
HTR2C P28335 5/20 0.35
HTR2B P41595 5/20 0.35
MEP1B Q16820 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CYP1A2 P05177 1/20 0.32
KEAP1 Q14145 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL34463045 0.85 TAAR1 (0.52) TAAR1HTR2AHTR2CHTR2BCYP1A2
SCHEMBL17119690 0.78 CA2 (0.42) TAAR1MEP1BKDM4EALDH1A1MAPK1
SCHEMBL17119684 0.78 MEP1B (0.36) TAAR1HTR2AHTR2CHTR2BMEP1B
SCHEMBL24180080 0.77 HMGCR (0.37) TAAR1HTR2AHTR2CHTR2BMEP1B
SCHEMBL9873091 0.75 KDM4E (0.43) MEP1BKDM4EALDH1A1MAPK1SMN1; SMN2
SCHEMBL17221413 0.75 CD274 (0.46) TAAR1CD274HTR2AHTR2CHTR2B
SCHEMBL8274219 0.75 MEP1B (0.48) CD274HTR2AHTR2CHTR2BMEP1B
SCHEMBL22391550 0.75 MEP1B (0.32) MEP1B
SCHEMBL29673225 0.75 MEP1B (0.48) CD274HTR2AHTR2CHTR2BMEP1B
Hydrochloric Acid SCHEMBL23088068 0.74 HTR2A (0.46) TAAR1CD274HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4364804-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION Janssen Pharmaceutica NV (BE) 2024-05-08 EP disclosed
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2024-02-13 US disclosed
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
US-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2022-08-30 US disclosed
US-11351164-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-07 US disclosed
US-20210283123-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-16 US disclosed
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 US disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
US-10689378-B2 Triazolopyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-23 US disclosed
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2020-03-26 US disclosed
EP-3472161-B1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2020-03-25 EP disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 US disclosed
US-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-07-04 US disclosed
US-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-07-04 US disclosed
EP-3503916-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-07-03 EP disclosed
EP-3472161-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF Novartis AG (CH) 2019-04-24 EP disclosed
WO-2018209049-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-11-15 WO disclosed
WO-2018039518-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-01 WO disclosed
WO-2017221092-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2017-12-28 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 (11 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-20220315604-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 TAAR1 4214/4885CD274 3319/4885HTR2A 3969/4885
US-11351164-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT TAAR1 2212/4885CD274 1452/4885HTR2A 186/4885
US-11897900-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 TAAR1 4214/4885CD274 3319/4885HTR2A 3969/4885
US-20190202828-A1 TRIAZOLOPYRIDINE COMPOUNDS AND USES THEREOF EZH2, EED, BMI1 TAAR1 1624/4885CD274 4710/4885HTR2A 3790/4885
US-11427601-B1 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 TAAR1 4214/4885CD274 3319/4885HTR2A 3969/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 TAAR1 4214/4885CD274 3319/4885HTR2A 3969/4885
US-20210283123-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT TAAR1 2212/4885CD274 1452/4885HTR2A 186/4885
US-11066392-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT TAAR1 2161/4885CD274 1482/4885HTR2A 175/4885
US-20200095231-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT TAAR1 2161/4885CD274 1482/4885HTR2A 175/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 TAAR1 4214/4885CD274 3319/4885HTR2A 3969/4885
US-10689378-B2 Triazolopyridine compounds and uses thereof EZH2, EED, BMI1 TAAR1 1624/4885CD274 4710/4885HTR2A 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.