SCHEMBL3574259

SCHEMBL3574259

NC(=O)c1ccc(-c2nnn[nH]2)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.39
PDK2 Q15119 2/20 0.37
AR P10275 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MAP2K4 P45985 1/20 0.36
PARP1 P09874 2/20 0.35
VNN1 O95497 1/20 0.34
ADH5 P11766 1/20 0.34
ERN1 O75460 1/20 0.33
MAOB P27338 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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
SCHEMBL1577476 0.82 PARP1 (0.40) CHEK2PDK2ARPARP1
SCHEMBL3376022 0.79 CHEK2 (0.43) CHEK2MAP2K4PARP1
SCHEMBL3574262 0.79 GAA (0.58) AR
SCHEMBL6771385 0.73 MKNK1 (0.44) CHEK2PDK2ERN1
SCHEMBL6258779 0.73 CSF1R (0.34) CHEK2PDK2AR
SCHEMBL751010 0.71 MKNK1 (0.42) CHEK2MAP2K4
SCHEMBL723099 0.71 HSD11B1 (0.46) PARP1
SCHEMBL31337247 0.71 CHEK2 (0.36) CHEK2MAP2K4PARP1VNN1MAOB
SCHEMBL403135 0.71 AKR1C3 (0.55) CHEK2PDK2AKR1C3AKR1C2ADH5
SCHEMBL17672841 0.71 FYN (0.39) CHEK2ARMAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US claimed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP claimed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO claimed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 US claimed
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM WAVEBREAK INC (US) 2024-06-27 US disclosed
WO-2022212568-A9 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2023-11-16 WO disclosed
WO-2022212568-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM 1BASE PHARMACEUTICALS, LLC (US) 2022-10-06 WO disclosed
EP-1926711-B1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
US-7713996-B2 Indolyl derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-05-11 US disclosed
EP-1926711-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
WO-2007031429-A1 NOVEL HETEROBICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF LIVER CARNITINE PALMITOYL TRANSFERASE F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-03-15 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 (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-20070060567-A1 Novel indolyl derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 CHEK2 2556/4885PDK2 247/4885AR 2833/4885
US-20240207270-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING LIPID METABOLISM CPT2, PC, SREBF2 CHEK2 3313/4885PDK2 241/4885AR 3584/4885

“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.