SCHEMBL26569461

SCHEMBL26569461

CC(C)c1cc(-c2cncnc2)cc(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
CYP2A6 P11509 1/20 0.37
ERN1 O75460 4/20 0.34
BACE1 P56817 2/20 0.34
CTSK P43235 1/20 0.34
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
DYRK1A Q13627 1/20 0.31
METAP2 P50579 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL19756421 0.84 PRMT5 (0.40) ATMCYP2A6BACE1CTSKCYP11B1
SCHEMBL3691460 0.80 CA1 (0.41) METAP2GABRA1GABRB2
SCHEMBL10022392 0.79 RXRA (0.49) ATMCYP2A6BACE1CTSKKCNH2
SCHEMBL10022367 0.77 ATM (0.50) ATMCYP2A6DYRK1APHGDH
SCHEMBL12925869 0.75 AKR1C3 (0.39) ATMERN1CYP11B1CYP11B2METAP2
SCHEMBL104541 0.75
SCHEMBL26563733 0.74 CA1 (0.41) ATMCYP2A6ERN1BACE1AURKA
SCHEMBL18999637 0.73 MAPT (0.50)
SCHEMBL26793092 0.72 CYP11B2 (0.43) ATMERN1CYP11B1CYP11B2
Ammonia Solution, Strong SCHEMBL8863481 0.72 CYP19A1 (0.39) ATM

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-20230331755-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 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-20230331755-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OPRM1, CHRM1 ATM 2764/4885CYP2A6 4098/4885ERN1 866/4885

“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.