SCHEMBL21263451

SCHEMBL21263451

CCc1nc(C(C)C)c2ccsc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ELANE P08246 2/20 0.37
ADORA2A P29274 9/20 0.35
ADORA1 P30542 9/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL10171314 0.77 LMNA (0.44) LMNAELANEADORA2AADORA1ADORA3
SCHEMBL16171326 0.77 ELANE (0.40) LMNAELANEADORA2AADORA1ADORA3
SCHEMBL19523193 0.77 MAPK1 (0.49) LMNAELANEADORA2AADORA1KMT2A
SCHEMBL12619543 0.76 ELANE (0.47) LMNAELANEKMT2AALDH1A1FLT3
SCHEMBL20659859 0.76 HTR2C (0.44) LMNAELANEADORA2AADORA1ADORA3
SCHEMBL31044797 0.76 HTR2C (0.44) LMNAELANEADORA2AADORA1ADORA3
SCHEMBL24996944 0.73 ADORA2A (0.54) ELANEADORA2AADORA1ADORA3ADORA2B
SCHEMBL24175212 0.73 ELANE (0.37) LMNAELANEADORA2AADORA1KMT2A
SCHEMBL24995656 0.73 ELANE (0.37) LMNAELANEADORA2AADORA1KMT2A
SCHEMBL24908651 0.72 TNF (0.34) LMNAADORA2AADORA1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-20 US disclosed
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-03-19 US disclosed
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-15 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-10981903-B2 Inhibitors of c-Jun-N-terminal kinase (JNK) CNKSR1, MAPK1, MAP3K1 LMNA 525/4885ELANE 3565/4885ADORA2A 3750/4885
US-20200087295-A9 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 LMNA 525/4885ELANE 3565/4885ADORA2A 3750/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB LMNA 4325/4885ELANE 3520/4885ADORA2A 2702/4885
US-20190248778-A1 INHIBITORS OF C-JUN-N-TERMINAL KINASE (JNK) CNKSR1, MAPK1, MAP3K1 LMNA 525/4885ELANE 3565/4885ADORA2A 3750/4885

“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.