SCHEMBL18330288

SCHEMBL18330288

COc1ccc(Cn2c(=O)n(C)c(=O)c3cn(Cc4ccccc4)nc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 4/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
PAX8 Q06710 1/20 0.54
ADORA3 P0DMS8 2/20 0.52
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 2/20 0.46
P2RX4 Q99571 1/20 0.46

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
SCHEMBL3089382 0.95 PIK3CD (0.53) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL16037273 0.90 MAPT (0.53) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL17508432 0.87 MAPT (0.47) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL17610011 0.87 MAPT (0.46) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL29465027 0.87 MAPT (0.46) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL7000713 0.87 MAPT (0.47) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL7513519 0.85 USP1 (0.45) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL16366912 0.83 PDE1B (0.46) ALDH1A1POLBMAPTMAPK1L3MBTL1
SCHEMBL3084224 0.78 PDE1A (0.52) ALDH1A1ADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL556004 0.77 ALDH1A1 (0.66) ALDH1A1POLBMAPTMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2022-03-24 US disclosed
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 US disclosed
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2021-10-07 US disclosed
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-13 US disclosed
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2021-04-13 US disclosed
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-06-20 US disclosed
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-06-20 US disclosed
EP-3310779-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2019-05-08 EP disclosed
WO-2016203404-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 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 (4 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-20220089597-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885POLB 4349/4885MAPT 4320/4885
US-10975080-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 4341/4885POLB 4111/4885MAPT 4046/4885
US-20190185475-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885POLB 4349/4885MAPT 4320/4885
US-20210309663-A1 COMPOUNDS AND COMPOSITIONS FOR INHBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN5 ALDH1A1 3953/4885POLB 4349/4885MAPT 4320/4885

“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.