SCHEMBL3398129

SCHEMBL3398129

CC(C)(C)c1cccnc1N(N)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.38
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
PLCG1 P19174 1/20 0.35
NAPRT Q6XQN6 2/20 0.35
RBP4 P02753 2/20 0.34
P2RY14 Q15391 2/20 0.33
MYC P01106 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RY2 P41231 1/20 0.33
GAA P10253 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
SCHEMBL5242161 0.78 P2RY1 (0.39) P2RY1KDM4EALDH1A1POLBPLCG1
SCHEMBL17700421 0.76 NAPRT (0.38) P2RY1KDM4EALDH1A1POLBNAPRT
SCHEMBL27853505 0.75 KDM4E (0.40) KDM4EALDH1A1NAPRTMYCTDP1
SCHEMBL14803694 0.75 ALDH1A1 (0.38) P2RY1KDM4EALDH1A1PLCG1RBP4
SCHEMBL14803892 0.73 KDM4E (0.38) P2RY1KDM4EALDH1A1POLBPLCG1
SCHEMBL5241823 0.70 KDM4E (0.55) P2RY1KDM4EALDH1A1PLCG1NAPRT
SCHEMBL14803695 0.70 METAP2 (0.39) P2RY1KDM4EALDH1A1RBP4
SCHEMBL27853494 0.70 GABRP (0.40) KDM4EALDH1A1TDP1
Hydrochloric Acid SCHEMBL3242526 0.69 KDM4E (0.53) P2RY1KDM4EALDH1A1PLCG1NAPRT
SCHEMBL1834470 0.69 ALDH1A1 (0.41) P2RY1KDM4EALDH1A1PLCG1MYC

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-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 P2RY1 1749/4885KDM4E 918/4885ALDH1A1 3970/4885

“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.