SCHEMBL2556988

SCHEMBL2556988

CC(C)(O)c1ccc2cc(Br)ccc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NT5E P21589 1/20 0.39
CYP2A6 P11509 1/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
PPARA Q07869 1/20 0.35
TLR2 O60603 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
HTT P42858 1/20 0.34
PSMB5 P28074 1/20 0.33
PABPC1 P11940 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
SCHEMBL10220222 0.85 BACE1 (0.53) BACE1CYP2C19CYP3A4CYP2C9NT5E
SCHEMBL264392 0.85 BACE1 (0.46) BACE1CYP2C19CYP3A4CYP2C9NT5E
SCHEMBL2003231 0.81 BACE1 (0.57) BACE1CYP2C19CYP3A4CYP2C9NT5E
SCHEMBL8005264 0.80 CYP1A2 (0.55) BACE1CYP2A6MAPTALDH1A1KDM4E
SCHEMBL263494 0.79 BACE1 (0.47) BACE1CYP2C19CYP3A4CYP2C9NT5E
SCHEMBL26167592 0.79 HTR3A (0.43) BACE1CYP2A6HDAC1HDAC2PPARA
SCHEMBL2117037 0.78 NT5E (0.57) BACE1CYP2C19CYP3A4CYP2C9NT5E
SCHEMBL1500481 0.75 BACE1 (0.46) BACE1CYP2C19CYP3A4CYP2C9CYP2A6
SCHEMBL30718863 0.75 TYMS (0.34) ALDH1A1CYP1A2
SCHEMBL27141565 0.75 CYP2A6 (0.36) CYP2A6MAPTALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
WO-2011130086-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 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-20120316200-A1 PYRIDONE DERIVATIVES MC1R, MC5R, MCHR1 BACE1 4566/4885CYP2C19 53/4885CYP3A4 207/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 BACE1 2266/4885CYP2C19 4247/4885CYP3A4 3921/4885

“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.