SCHEMBL22978645

SCHEMBL22978645

CCOc1cc(C(C)Br)ncc1Cl

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
AOC3 Q16853 2/20 0.35
CYP1A2 P05177 2/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
STING1 Q86WV6 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL22978620 0.83 CYP1A2 (0.38) TP53AOC3CYP1A2POLBKDM4E
SCHEMBL29698237 0.83 CYP1A2 (0.38) TP53AOC3CYP1A2POLBKDM4E
SCHEMBL22978698 0.80 PTGS1 (0.35) AOC3KDM4EALDH1A1LMNAHTT
SCHEMBL22981187 0.76 KCNJ1 (0.41) CYP1A2KDM4ECYP2C19ALDH1A1LMNA
SCHEMBL29698291 0.76 KCNJ1 (0.41) CYP1A2KDM4ECYP2C19ALDH1A1LMNA
SCHEMBL29698385 0.74 AOC3 (0.41) AOC3CYP1A2KDM4ECYP2C19ALDH1A1
SCHEMBL17894000 0.74 AOC3 (0.41) AOC3CYP1A2KDM4ECYP2C19ALDH1A1
SCHEMBL20347045 0.73 CSNK2A1 (0.43) TP53POLBKDM4ETRPV1ALDH1A1
SCHEMBL172311 0.73 AOC3 (0.40) TP53AOC3CYP1A2POLBKDM4E
SCHEMBL15527815 0.72 AOC3 (0.43) AOC3CYP1A2POLBKDM4ECYP2C19

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
US-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2022-09-15 US disclosed
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 EP disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021028806-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 WO disclosed
WO-2021026672-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS NOVARTIS AG (CH) 2021-02-18 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-20220289732-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS WDR5, WDR77, WDR1 TP53 488/4885AOC3 4574/4885CYP1A2 4786/4885

“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.