SCHEMBL27039735

SCHEMBL27039735

C[C@H](C#N)Nc1cc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
VCAM1 P19320 3/20 0.36
PIN1 Q13526 2/20 0.34
AHR P35869 1/20 0.34
CHEK1 O14757 1/20 0.33
MERTK Q12866 1/20 0.33
HTT P42858 2/20 0.32
HCAR3 P49019 2/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 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
SCHEMBL27039737 1.00 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15740561 0.84 MAPT (0.46) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15740557 0.83 IDH1 (0.37) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15740730 0.80 ALDH1A1 (0.50) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15740609 0.79 MERTK (0.43) ALDH1A1MAPTVCAM1MERTKHTT
SCHEMBL30726359 0.79 IRAK4 (0.48)
SCHEMBL27040022 0.79 IRAK4 (0.48)
SCHEMBL27040017 0.79 IRAK4 (0.48)
SCHEMBL15740596 0.78 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15740626 0.78 ALDH1A1 (0.36) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151602-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed
WO-2025151728-A1 LIGAND DIRECTED DEGRADER OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed
EP-4558495-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 Bristol-Myers Squibb Company (US) 2025-05-28 EP disclosed
US-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 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 (1 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-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 IRAK4, IRAK2, IRAK3 ALDH1A1 3457/4885MAPT 1801/4885CYP1A2 3994/4885

“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.