SCHEMBL24995656

SCHEMBL24995656

CC(C)c1nc(C(C)(C)C)nc2sccc12

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
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
PIM1 P11309 1/20 0.33
FGFR1 P11362 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
SCHEMBL24944131 0.82 LMNA (0.33) ELANEADORA2AADORA1LMNA
SCHEMBL19523193 0.77 MAPK1 (0.49) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL24175509 0.77 MAPK1 (0.38) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL16171326 0.77 ELANE (0.40) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL10139174 0.77 ADORA2A (0.36) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL18701492 0.76 ADORA2A (0.36) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL21101029 0.75
SCHEMBL24174401 0.73 ADORA2A (0.54) ADORA2AADORA1
SCHEMBL21263451 0.73 LMNA (0.41) ELANEADORA2AADORA1KMT2AFLT3
SCHEMBL24175212 0.73 ELANE (0.37) ELANEADORA2AADORA1KMT2AFLT3

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB ELANE 3520/4885ADORA2A 2702/4885ADORA1 2556/4885

“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.