SCHEMBL2386252

SCHEMBL2386252

COc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
BACE1 P56817 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
GPR119 Q8TDV5 7/20 0.44
IRAK4 Q9NWZ3 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
STS P08842 1/20 0.41
FPR2 P25090 1/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL2389034 0.87 GPR119 (0.44) ALDH1A1DDB1CRBNGPR119IRAK4
SCHEMBL27253665 0.87 BACE1 (0.50) ALDH1A1CTSDCTSEBACE1DDB1
SCHEMBL31435997 0.86 ALDH1A1 (0.45) ALDH1A1CTSDCTSEBACE1DDB1
SCHEMBL2386564 0.85 KDM5A (0.47) DDB1CRBNGPR119IRAK4KDM4E
SCHEMBL2386109 0.85 DDB1 (0.43) ALDH1A1CTSDCTSEBACE1DDB1
SCHEMBL27459326 0.84 DDB1 (0.45) CTSDCTSEBACE1DDB1CRBN
SCHEMBL22532431 0.84 DDB1 (0.45) ALDH1A1DDB1CRBNGPR119IRAK4
SCHEMBL22532828 0.84 CTSD (0.45) CTSDCTSEBACE1DDB1CRBN
SCHEMBL2386117 0.83 KDM5A (0.49) DDB1CRBNGPR119IRAK4
SCHEMBL31228395 0.83 IRAK4 (0.46) ALDH1A1CTSDCTSEBACE1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS HALIA THERAPEUTICS INC (US) 2025-01-16 US disclosed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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-20250019378-A1 PYRROLE[2,3-B]PYRIDINE DERIVATIVES AS TYRO3 INHIBITORS TYRO3, TH, TYR ALDH1A1 3937/4885CTSD 1940/4885CTSE 473/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ALDH1A1 802/4885CTSD 4425/4885CTSE 4548/4885

“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.