SCHEMBL1554553

SCHEMBL1554553

CC(F)(F)c1ccc(Br)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.33
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
DGAT1 O75907 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PDE2A O00408 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29480716 0.83 CHRNB2 (0.33) KMT2ATHRBCHRNB2CHRNA4DGAT1
SCHEMBL22735755 0.83 CHRNB2 (0.33) KMT2ATHRBCHRNB2CHRNA4DGAT1
SCHEMBL67213 0.82 KMT2A (0.47) KMT2ATHRBL3MBTL1TRPV1TSHR
SCHEMBL13010773 0.82 TSHR (0.39) CHRNB2CHRNA4DGAT1L3MBTL1HDAC1
SCHEMBL29480714 0.80 GCK (0.46)
SCHEMBL5199624 0.80 GCK (0.46)
SCHEMBL28017609 0.78 L3MBTL1 (0.33) KMT2ATHRBCHRNB2CHRNA4L3MBTL1
SCHEMBL24129962 0.78 PDE2A (0.38) KMT2ACHRNB2CHRNA4DGAT1PDE2A
SCHEMBL746530 0.78 TNKS (0.37) KMT2ACHRNB2CHRNA4
SCHEMBL30043054 0.78 TNKS (0.37) KMT2ACHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568960-B1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-29 EP disclosed
US-20250236614-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-07-24 US disclosed
EP-4568960-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
US-12258328-B2 6-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors YUHAN CORPORATION (KR) 2025-03-25 US disclosed
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
CN-115667257-B Compounds for inhibiting CDK7 伊莱利利公司 2024-06-11 CN disclosed
WO-2024033458-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 WO disclosed
US-9994591-B2 Oxadiazolopyridine derivates for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-12 US disclosed
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INERNATIONAL GMBH (DE) 2018-02-08 US disclosed
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INERNATIONAL GMBH (DE) 2018-02-08 US disclosed
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INERNATIONAL GMBH (DE) 2018-02-08 US disclosed
WO-2018024653-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-08 WO disclosed
WO-2018024653-A1 OXADIAZOLOPYRIDINE DERIVATES FOR USE AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-08 WO disclosed
EP-2929883-A1 Pyrazole derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors INSTITUT PASTEUR (FR) 2015-10-14 EP disclosed
EP-2488030-B1 1-(PYRID-3-YL)-PYRAZOLES AND 1-(PYRIMID-5-YL)-PYRAZOLES AS PEST CONTROLLERS BAYER CROPSCIENCE AG (DE) 2015-01-07 EP disclosed
EP-2488030-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE Bayer CropScience AG (DE) 2012-08-22 EP disclosed
WO-2011045224-A1 1- (PYRID-3-YL) -PYRAZOLE AND 1- (PYRIMID-5-YL) -PYRAZOLE AS PESTICIDE BAYER CROPSCIENCE AG (DE) 2011-04-21 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 (3 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-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors MBOAT4, GIPR, ACAT1 MBOAT4 1/4885KMT2A 2700/4885THRB 168/4885
US-20250236614-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES GRIN2C, CNR1, CNR2 MBOAT4 3241/4885KMT2A 440/4885THRB 943/4885
US-12258328-B2 6-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors EGFR, ERBB2, ERBB4 MBOAT4 4802/4885KMT2A 1963/4885THRB 1706/4885

“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.