SCHEMBL19869926

SCHEMBL19869926

COc1cc(Br)ccc1CN1C[C@@H]2CC1CN2C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.44
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PYCR1 P32322 1/20 0.38
TLR7 Q9NYK1 2/20 0.36
CCR5 P51681 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL19869929 1.00 TRPV6 (0.44) TRPV6PIM1CSNK2A2CSNK2BPIM3
SCHEMBL24556470 1.00 TRPV6 (0.44) TRPV6PIM1CSNK2A2CSNK2BPIM3
SCHEMBL19857645 1.00 TRPV6 (0.44) TRPV6PIM1CSNK2A2CSNK2BPIM3
SCHEMBL29733363 1.00 TRPV6 (0.44) TRPV6PIM1CSNK2A2CSNK2BPIM3
SCHEMBL19869927 0.79 HSD11B1 (0.42) TRPV6KDM4ETDP1CCR5MEN1
SCHEMBL19857688 0.79 HSD11B1 (0.42) TRPV6KDM4ETDP1CCR5MEN1
SCHEMBL19857616 0.79 HSD11B1 (0.42) TRPV6KDM4ETDP1CCR5MEN1
SCHEMBL19857617 0.79 HSD11B1 (0.42) TRPV6KDM4ETDP1CCR5MEN1
SCHEMBL19869968 0.78 TRPV6 (0.45) TRPV6KDM4ETDP1PYCR1TLR7
SCHEMBL24556440 0.78 TRPV6 (0.45) TRPV6KDM4ETDP1PYCR1TLR7

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-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 TRPV6 3899/4885PIM1 3321/4885CSNK2A2 113/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 TRPV6 3797/4885PIM1 3452/4885CSNK2A2 109/4885

“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.