SCHEMBL12228985

SCHEMBL12228985

CC(C)c1ccnc(NS(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 7/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHRNA7 P36544 1/20 0.38
LMNA P02545 3/20 0.38
SLC22A12 Q96S37 1/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 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
SCHEMBL18924312 0.81 SLC22A12 (0.41) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL12460797 0.77 KDM4E (0.59) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL12015780 0.76 CYP2C19 (0.39) ALDH1A1SMN1; SMN2HPGDCHRNA7LMNA
SCHEMBL27167048 0.75 ABL1 (0.47) ALDH1A1HPGDKDM4ELMNASLC22A12
SCHEMBL21617733 0.75 BRD4 (0.49) ALDH1A1HPGDKDM4EL3MBTL1LMNA
SCHEMBL20197187 0.75 ALDH1A1 (0.40) ALDH1A1HPGDKDM4ELMNASLC22A12
SCHEMBL12356613 0.74 MAPK14 (0.42) ALDH1A1SMN1; SMN2HPGD
SCHEMBL12631397 0.74 TSHR (0.46) ALDH1A1SMN1; SMN2HPGDKDM4EL3MBTL1
SCHEMBL25982913 0.74 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL10284897 0.73 CHRNA7 (0.40) ALDH1A1SMN1; SMN2HPGDPOLBCHRNA7

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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
US-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors PHARMASUM THERAPEUTICS AS (NO) 2021-02-23 US disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 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 (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-10927106-B2 Benzothiazole derivatives as DYRK1 inhibitors DYRK1A, DYRK1B, PDK2 ALDH1A1 1092/4885SMN1; SMN2 2813/4885HPGD 2051/4885
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ALDH1A1 2049/4885SMN1; SMN2 3970/4885HPGD 3087/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ALDH1A1 3871/4885SMN1; SMN2 2169/4885HPGD 2768/4885
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ALDH1A1 804/4885SMN1; SMN2 4242/4885HPGD 301/4885

“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.