SCHEMBL22097081

SCHEMBL22097081

Cc1nc(C(C)(C)C)c2c(ccc3ccccc32)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 5/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 3/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 8/20 0.39
CYP1A2 P05177 4/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
TNNI3 P19429 1/20 0.39

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
SCHEMBL25817326 0.83 TYMS (0.46) TYMSMEN1KMT2AHPGDCYP3A4
SCHEMBL25878132 0.80 MAPT (0.50) TYMSMEN1KMT2AHPGDRAB9A
SCHEMBL6650417 0.79 TYMS (0.51) TYMSMEN1KMT2AHPGDCYP3A4
SCHEMBL179260 0.77 LMNA (0.49) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL22988564 0.76 TYMS (0.53) TYMSMEN1KMT2AHPGDCYP3A4
SCHEMBL19169358 0.73 TYMS (0.46) TYMSHPGDCYP3A4TSHRHSD17B10
SCHEMBL26544117 0.73 TYMS (0.46) TYMSMEN1KMT2AHPGDCYP3A4
SCHEMBL19672309 0.72 TYMS (0.56) TYMSMEN1KMT2AHPGDCYP3A4
SCHEMBL21791642 0.71 TYMS (0.44) TYMSMEN1KMT2AHPGDCYP3A4
SCHEMBL19169644 0.71 TYMS (0.44) TYMSHPGDCYP3A4TSHRHSD17B10

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-11236075-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-02-01 US disclosed
US-20200190065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-18 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 (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-11236075-B2 Organic compound and organic electroluminescence device using the same ICMT, OR10J3, PIEZO1 TYMS 1164/4885MEN1 1207/4885KMT2A 2500/4885
US-20200190065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ICMT, OR10J3, PIEZO1 TYMS 1164/4885MEN1 1207/4885KMT2A 2500/4885

“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.