SCHEMBL4428622

SCHEMBL4428622

NC(=O)c1nn2cccnc2c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.42
KCNQ3 O43525 4/20 0.39
KCNQ2 O43526 4/20 0.39
HPGD P15428 3/20 0.39
APOBEC3A P31941 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL5133264 0.87 APOBEC3A (0.45) KCNQ3KCNQ2HPGDAPOBEC3AAPOBEC3G
SCHEMBL17460386 0.80 IRAK4 (0.45) IRAK4KCNQ3KCNQ2HPGDAPOBEC3A
SCHEMBL4312241 0.77 IRAK4 (0.45) IRAK4HPGDAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL29788579 0.77 KCNQ3 (0.39) IRAK4KCNQ3KCNQ2HPGDAPOBEC3A
SCHEMBL17460370 0.73 HPGD (0.44) IRAK4HPGDAPOBEC3AALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL30194359 0.73 PIK3CG (0.42)
SCHEMBL23649073 0.72 IRAK4 (0.44) IRAK4HPGDAPOBEC3AALDH1A1L3MBTL1
SCHEMBL17460362 0.72 IRAK4 (0.41) IRAK4KCNQ3KCNQ2HPGDAPOBEC3A
SCHEMBL17460390 0.70 HPGD (0.42) IRAK4KCNQ3KCNQ2HPGDAPOBEC3A
SCHEMBL19554509 0.70 IRAK4 (0.47) IRAK4APOBEC3AAPOBEC3GMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP claimed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO claimed
US-20210338653-A1 N-[2-(1 -BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1 -CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES NEUROCRINE BIOSCIENCES, INC. 2021-11-04 US disclosed
US-11033539-B2 Compounds of formulas (VII), (VIII), (IX), (XI), (XII), (XIII), and (XIV) as muscarinic receptor 4(M4) antagonists for treating neurological diseases NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-15 US disclosed
US-10633369-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2020-04-28 US disclosed
US-20180325887-A1 N-[2-(1-BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES NEUROCRINE BIOSCIENCES, INC. 2018-11-15 US disclosed
US-20180201606-A1 METHOD OF INHIBITING DYRK1B 4 SC AG (DE) 2018-07-19 US disclosed
US-9951050-B2 Method of inhibiting DYRK1B 4 SC AG (DE) 2018-04-24 US disclosed
US-20140371251-A1 METHOD OF INHIBITING DYRK1B 4SC DISCOVERY GMBH (DE) 2014-12-18 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 (6 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-11033539-B2 Compounds of formulas (VII), (VIII), (IX), (XI), (XII), (XIII), and (XIV) as muscarinic receptor 4(M4) antagonists for treating neurological diseases CHRM2, CHRM4, CHRM1 IRAK4 609/4885KCNQ3 1357/4885KCNQ2 1323/4885
US-10633369-B2 Method of inhibiting DYRK1B SMO, GLI1, GRK2 IRAK4 1625/4885KCNQ3 3975/4885KCNQ2 3911/4885
US-20180325887-A1 N-[2-(1-BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES CHRM1, CHRM2, CHRM4 IRAK4 864/4885KCNQ3 2501/4885KCNQ2 2156/4885
US-20210338653-A1 N-[2-(1 -BENZYLPIPERIDIN-4-YL)ETHYL]-4-(PYRAZIN-2-YL)-PIPERAZINE-1 -CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC RECEPTOR 4 (M4) ANTAGONISTS FOR TREATING NEUROLOGICAL DISEASES CHRM2, CHRM1, CHRM4 IRAK4 870/4885KCNQ3 2654/4885KCNQ2 2294/4885
US-20180201606-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 IRAK4 1625/4885KCNQ3 3975/4885KCNQ2 3911/4885
US-20140371251-A1 METHOD OF INHIBITING DYRK1B SMO, GLI1, GRK2 IRAK4 1625/4885KCNQ3 3975/4885KCNQ2 3911/4885

“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.