SCHEMBL20047571

SCHEMBL20047571

COc1cc(C(C)(C)C)cnc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FGFR2 P21802 2/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALPL P05186 1/20 0.32
GAK O14976 1/20 0.32
RIPK2 O43353 1/20 0.32
COQ8A Q8NI60 1/20 0.32
NLK Q9UBE8 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL25791601 0.80 ACHE (0.40) TDO2KMT2AMEN1MAPTNPSR1
SCHEMBL12458404 0.80 PIK3CA (0.38) TDO2KMT2AMEN1MAPTNPSR1
SCHEMBL13624095 0.80 CA1 (0.39) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL19803233 0.80 TDO2 (0.37) TDO2KMT2AMEN1MAPTNPSR1
SCHEMBL19628510 0.79 CACNA1H (0.32) NPSR1ALPL
SCHEMBL17996185 0.78 ALDH1A1 (0.38) TDO2KMT2AMEN1MAPTNPSR1
SCHEMBL84338 0.78 FYN (0.40) TDO2FGFR2
SCHEMBL8580894 0.76 POLB (0.41) MAPTALDH1A1KDM4ELMNATP53
SCHEMBL83961 0.76 LRRK2 (0.39) TDO2MAPTFGFR2ALDH1A1KDM4E
SCHEMBL20047548 0.76 PTGS2 (0.46) ALDH1A1ALPLCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-11028064-B2 Tricyclic heterocyclic derivatives and uses thereof AUCKLAND UNISERVICES LIMITED (NZ) 2021-06-08 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190276423-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF AUCKLAND UNISERVICES LIMITED (NZ) 2019-09-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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 (6 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 TDO2 1978/4885KMT2A 4512/4885MEN1 4358/4885
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 TDO2 591/4885KMT2A 2570/4885MEN1 1963/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 TDO2 1978/4885KMT2A 4512/4885MEN1 4358/4885
US-11028064-B2 Tricyclic heterocyclic derivatives and uses thereof CSF3R, CSF1R, FLT3 TDO2 4347/4885KMT2A 1577/4885MEN1 805/4885
US-20190276423-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES AND USES THEREOF CSF3R, CSF1R, FLT3 TDO2 4347/4885KMT2A 1577/4885MEN1 805/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 TDO2 1978/4885KMT2A 4512/4885MEN1 4358/4885

“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.