SCHEMBL19690404

SCHEMBL19690404

Brc1cccc(N2CC3(COC3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC4 P56524 1/20 0.40
MGLL Q99685 1/20 0.40
HSD17B10 Q99714 5/20 0.39
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 2/20 0.39
TP53 P04637 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
DHFR P00374 2/20 0.38
ALOX5 P09917 2/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 3/20 0.35

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
SCHEMBL30469286 0.81 ADRA2C (0.47) ALDH1A1MEN1KMT2AHDAC4HSD17B10
SCHEMBL12802503 0.81 ADRA2C (0.47) ALDH1A1MEN1KMT2AHDAC4HSD17B10
SCHEMBL25965845 0.79 MEN1 (0.46) ALDH1A1MEN1KMT2AMGLLHSD17B10
SCHEMBL17289883 0.78 HDAC4 (0.47) ALDH1A1MEN1KMT2AHDAC4MGLL
SCHEMBL31175173 0.77 TSHR (0.55) ALDH1A1MEN1KMT2AHDAC4MGLL
SCHEMBL38659130 0.77 ADRB1 (0.51) ALDH1A1MEN1KMT2AMGLLHSD17B10
SCHEMBL19464055 0.77 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMGLLHSD17B10
SCHEMBL24270059 0.76 HDAC4 (0.37) HDAC4CYP1A2MAPK1
SCHEMBL31313387 0.75 CHRNB2 (0.47) HDAC4CYP1A2
SCHEMBL31424501 0.73 HDAC4 (0.39) MEN1KMT2AHDAC4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 ALDH1A1 3131/4885MEN1 2811/4885KMT2A 2535/4885
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 ALDH1A1 4322/4885MEN1 1066/4885KMT2A 1901/4885

“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.