SCHEMBL21274673

SCHEMBL21274673

NCCc1ccc(-c2c[nH]nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 3/20 0.46
MAOB P27338 7/20 0.44
TAAR1 Q96RJ0 7/20 0.44
HTR2A P28223 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR3A P46098 1/20 0.39
BACE1 P56817 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5329400 0.85 HRH3 (0.48) AKT2TAAR1CYP2A6LOXL2
SCHEMBL5612851 0.82 NISCH (0.42) AKT2L3MBTL1
SCHEMBL13078874 0.80 METAP2 (0.32) AKT2
SCHEMBL5612800 0.79 RAB9A (0.49) AKT2KDM4EL3MBTL1KMT2A
SCHEMBL1823584 0.79 METAP2 (0.44) TAAR1KDM4EALDH1A1BLMKMT2A
SCHEMBL19938006 0.78 BRS3 (0.35) AKT2SLC6A2
SCHEMBL21274654 0.78 TAAR1 (0.49) AKT2TAAR1CYP1A2KDM4EALDH1A1
SCHEMBL28164912 0.78 CHEK1 (0.43)
SCHEMBL28876711 0.78 AKT2 (0.31) AKT2
SCHEMBL28732240 0.76 TP53 (0.47) KDM4EALDH1A1KMT2A

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-11414384-B2 P300/CBP hat inhibitors CONSTELLATION PHARMACEUTICALS, INC. (US) 2022-08-16 US disclosed
EP-3752250-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2022-08-03 EP disclosed
US-20210061762-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-03-04 US disclosed
US-20210061762-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS, INC. 2021-03-04 US disclosed
EP-3752250-A1 P300/CBP HAT INHIBITORS Constellation Pharmaceuticals, Inc. (US) 2020-12-23 EP disclosed
WO-2019161157-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMCEUTICALS, INC. (US) 2019-08-22 WO disclosed
WO-2019161157-A1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMCEUTICALS, INC. (US) 2019-08-22 WO 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-11414384-B2 P300/CBP hat inhibitors EP300, HDAC1, KAT2A AKT2 1048/4885MAOB 2465/4885TAAR1 2583/4885
US-20210061762-A1 P300/CBP HAT INHIBITORS EP300, HDAC1, KAT2A AKT2 1048/4885MAOB 2465/4885TAAR1 2583/4885

“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.