SCHEMBL21025403

SCHEMBL21025403

CNC(=O)Cn1cnc2cc(C(C)(C)C)ccc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MAPT P10636 7/20 0.60
MEN1 O00255 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 5/20 0.55
HTT P42858 2/20 0.51
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BTK Q06187 1/20 0.43

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
SCHEMBL20809000 0.84 MAPT (0.58) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL20786880 0.82 MCL1 (0.53) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL12838812 0.79 KDM4E (0.67) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL21025153 0.78 KDM4E (0.47) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL22393621 0.77 MEN1 (0.48) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL21025561 0.75 MEN1 (0.47) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL19392441 0.74 MAPT (0.60) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL25111597 0.73 L3MBTL1 (0.46) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL21025346 0.71 RAB9A (0.47) POLBBTK
SCHEMBL2611241 0.71 HDAC6 (0.66) KMT2AMAPTMEN1SMN1; SMN2RECQL

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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-05-23 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-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 KMT2A 751/4885MAPT 4056/4885MEN1 2449/4885
US-20190152941-A1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF TLR8, TLR1, TLR5 KMT2A 751/4885MAPT 4056/4885MEN1 2449/4885

“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.