SCHEMBL19280241

SCHEMBL19280241

O=C(O)N1CCN(c2cccc(Br)c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD2 P25440 1/20 0.45
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRMT1 Q99873 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC4 P56524 1/20 0.38
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
MGLL Q99685 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL19280531 0.81 HDAC1 (0.45) BRD2HSD11B1ALDH1A1
SCHEMBL974217 0.76 HSD11B1 (0.44) HSD11B1ALDH1A1MEN1KMT2AMAPT
SCHEMBL20899628 0.76 BRD4 (0.49) ALDH1A1MEN1KMT2ATP53MAPT
SCHEMBL21986361 0.75 BRD2 (0.46) BRD2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL14339392 0.75 ALDH1A1 (0.46) BRD2HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL8513844 0.72 HSD11B1 (0.54) HSD11B1ALDH1A1SMN1; SMN2POLB
SCHEMBL30910104 0.72 KMT2A (0.42) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL26089819 0.72 KMT2A (0.42) HSD11B1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21805774 0.71 P2RX7 (0.49) HSD11B1ALDH1A1MEN1KMT2APRMT1
SCHEMBL1861484 0.71 HSD11B1 (0.52) HSD11B1TP53MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
EP-3209664-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-30 EP 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 BRD2 59/4885HSD11B1 2685/4885ALDH1A1 3131/4885

“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.