SCHEMBL22860004

SCHEMBL22860004

Cn1cc(Br)c2cc(CN3CCCCC3)sc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
KMT2A Q03164 4/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL15716545 0.91 BRD4 (0.44) BRD4SMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL15716909 0.90 BRD4 (0.42) BRD4SMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL15716821 0.82 KDM4E (0.45) BRD4SMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL15716555 0.81 KCNH2 (0.41) BRD4SMN1; SMN2KDM4EHTTADORA2A
SCHEMBL15716820 0.80 KDM4E (0.39) BRD4SMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL15716757 0.80 KCNH2 (0.41) BRD4SMN1; SMN2KDM4ETDP1HTT
SCHEMBL18598914 0.79 ALDH1A1 (0.47) BRD4KDM4ETDP1ALDH1A1L3MBTL1
SCHEMBL22860002 0.77 PKM (0.34) BRD4SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL15716634 0.77 L3MBTL1 (0.40) BRD4SMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL15717004 0.77 MCL1 (0.38) BRD4KDM4ETDP1ALDH1A1L3MBTL1

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
CN-114286818-B Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2024-09-20 CN disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
US-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC (US) 2023-10-26 US disclosed
EP-3997070-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2022-05-18 EP disclosed
CN-114286818-A Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2022-04-05 CN disclosed
WO-2021003310-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS NUVATION BIO INC. (US) 2021-01-07 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-20230339964-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 BRD4 2/4885SMN1; SMN2 2600/4885KDM4E 555/4885

“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.