SCHEMBL21101032

SCHEMBL21101032

CC(C)c1nc(C(C)(C)C)c2ccsc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.37
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34
KMT2A Q03164 2/20 0.33
FLT3 P36888 2/20 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
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
IGF1R P08069 1/20 0.33
PDGFRB P09619 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
SCHEMBL25803195 0.85 ELANE (0.36) ELANEADORA2AADORA1ADORA3ADORA2B
SCHEMBL20618617 0.83 ELANE (0.33) ELANEADORA2AADORA1KMT2ALMNA
SCHEMBL10139174 0.77 ADORA2A (0.36) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL15627224 0.77 MAPK1 (0.49) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL16171326 0.77 ELANE (0.40) ELANEADORA2AADORA1ADORA3ADORA2B
SCHEMBL14090721 0.76 ALDH1A1 (0.35) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL19261302 0.76 KMT2A (0.35) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL24943614 0.73 ADORA2A (0.54) ELANEADORA2AADORA1ADORA3ADORA2B
SCHEMBL12963987 0.73 ELANE (0.40) ELANEADORA2AADORA1ADORA3ADORA2B
SCHEMBL19523161 0.73 LMNA (0.41) ELANEADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
WO-2022002118-A1 FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF 四川海思科制药有限公司 2022-01-06 WO disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 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-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 ELANE 3919/4885ADORA2A 330/4885ADORA1 575/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 ELANE 2368/4885ADORA2A 3025/4885ADORA1 3254/4885

“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.