SCHEMBL25801210

SCHEMBL25801210

O=C1CCCc2[nH]cc(Br)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.36
PTK2 Q05397 1/20 0.35
BUB1 O43683 5/20 0.33
TSHR P16473 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ERBB2 P04626 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 1/20 0.31
DHODH Q02127 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL17354057 0.76 DYRK1A (0.36) DYRK1APTK2BUB1TSHRL3MBTL1
SCHEMBL7683053 0.76 PTK2 (0.42) DYRK1APTK2TSHRL3MBTL1ALDH1A1
SCHEMBL24109419 0.76 DYRK1A (0.36) DYRK1APTK2BUB1TSHRL3MBTL1
SCHEMBL1663484 0.72 PTK2 (0.46) DYRK1APTK2TSHRL3MBTL1KDM4E
SCHEMBL24109425 0.72 DHODH (0.40) DYRK1APTK2TSHRL3MBTL1DHODH
SCHEMBL7394232 0.71 ALDH1A1 (0.39) DYRK1APTK2TSHRL3MBTL1KDM4E
SCHEMBL11997367 0.71 KDM4E (0.36) DYRK1APTK2KDM4EALDH1A1MAPT
SCHEMBL3429404 0.69 PTK2 (0.44) PTK2TSHRL3MBTL1KDM4EHSD17B10
SCHEMBL18463875 0.69 PTK2 (0.37) DYRK1APTK2TSHRL3MBTL1
SCHEMBL6952749 0.68 KDM4E (0.45) DYRK1APTK2TSHRL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF BETTA PHARMACEUTICALS CO LTD (CN) 2023-07-13 US 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-20230219890-A1 BICYCLIC COMPOUNDS AND USE THEREOF CYP11B2, CYP11B1, CYP1B1 DYRK1A 4795/4885PTK2 4730/4885BUB1 2085/4885

“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.