SCHEMBL22004077

SCHEMBL22004077

CCN1CCC(C(=O)c2ccc(Br)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC18A3 Q16572 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
KMT2A Q03164 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KDM2B Q8NHM5 1/20 0.40

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
SCHEMBL21795793 0.84 SMN1; SMN2 (0.46) KCNH2SMN1; SMN2SLC18A3LMNATP53
SCHEMBL21795779 0.84 DUSP3 (0.38) KCNH2SMN1; SMN2MAPT
SCHEMBL22736231 0.82 NPC1 (0.41) SLC18A3HTR2AHTR2CKMT2AMEN1
SCHEMBL29480699 0.80 NPSR1 (0.53) SMN1; SMN2SLC18A3LMNATP53MAPT
SCHEMBL22716934 0.80 NPSR1 (0.53) SMN1; SMN2SLC18A3LMNATP53MAPT
SCHEMBL29480691 0.76 KMT2A (0.51) KMT2A
SCHEMBL21795781 0.76 KMT2A (0.51) KMT2A
SCHEMBL11107232 0.76 HTR2A (0.68) SMN1; SMN2LMNAHTR2AHTR2CHTR7
SCHEMBL22003706 0.76 MEN1 (0.54) SLC18A3KMT2ATSHRMEN1
SCHEMBL29480726 0.76 MEN1 (0.54) SLC18A3KMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof Zhang, Fuyao (CN) 2021-11-23 US disclosed
EP-3620456-B1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF ZHANG FUYAO (CN) 2021-11-17 EP disclosed
US-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF SHANGHAI BEST-LINK BIOSCIENCE, LLC (CN) 2020-05-21 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 (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-20200155550-A1 COMPOUND WITH KINASE INHIBITORY ACTIVITY AND PREPARATION METHOD AND USE THEREOF CDK9, CDK7, CDK6 KCNH2 2223/4885SMN1; SMN2 2256/4885SLC18A3 4032/4885
US-11179391-B2 Compound with kinase inhibitory activity and preparation method and use thereof CDK9, CDK7, CDK6 KCNH2 2223/4885SMN1; SMN2 2256/4885SLC18A3 4032/4885

“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.