SCHEMBL25817326

SCHEMBL25817326

CC(C)(C)c1nc(C(C)(C)C)c2c(ccc3ccccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 4/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
CYP2A6 P11509 1/20 0.35

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
SCHEMBL22097081 0.83 TYMS (0.50) TYMSMEN1KMT2ACYP3A4TSHR
SCHEMBL19162434 0.80 MAPT (0.42) TYMSMEN1KMT2ACYP3A4HPGD
SCHEMBL19161274 0.77 PTGES (0.41) TYMSMEN1KMT2AHPGDL3MBTL1
SCHEMBL10139179 0.77 ALDH1A1 (0.47) HPGDL3MBTL1HSD17B10CASP1CASP7
SCHEMBL19161273 0.76 MAPT (0.41) TYMSMEN1KMT2AHPGDL3MBTL1
SCHEMBL22097079 0.75 L3MBTL1 (0.42) CYP3A4TSHRHPGDL3MBTL1HSD17B10
SCHEMBL24768886 0.71 LMNA (0.56) MEN1KMT2ACYP3A4TSHRL3MBTL1
SCHEMBL21791642 0.71 TYMS (0.44) TYMSMEN1KMT2ACYP3A4TSHR
SCHEMBL19670057 0.69 ALDH1A1 (0.43) L3MBTL1ATMALDH1A1MAPTLMNA
SCHEMBL24627141 0.69 SMN1; SMN2 (0.39) MEN1KMT2AHPGDL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 US disclosed
US-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-06 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-20230217825-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, AOC2, EPCAM TYMS 2188/4885MEN1 2257/4885KMT2A 1952/4885

“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.