SCHEMBL23840720

SCHEMBL23840720

CNC(=O)c1ccc(CCN)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 7/20 0.70
HDAC6 Q9UBN7 2/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
EPHX2 P34913 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
CA2 P00918 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KIF11 P52732 1/20 0.49
HDAC3 O15379 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
TAAR1 Q96RJ0 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2A6 P11509 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.47

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
SCHEMBL10565804 0.89 PLK1 (0.72) PLK1HDAC6HDAC2HDAC8EPHX2
Bromide SCHEMBL11137616 0.87 PLK1 (0.70) PLK1HDAC6HDAC2HDAC8EPHX2
SCHEMBL2643238 0.84 PLK1 (0.68) PLK1HDAC6HDAC2HDAC8EPHX2
SCHEMBL22433529 0.84 PLK1 (0.50) PLK1HDAC6EPHX2NR1H4CA2
SCHEMBL8246095 0.82 PLK1 (1.00) PLK1HDAC6HDAC2HDAC8EPHX2
SCHEMBL16027338 0.82 PLK1 (0.72) PLK1HDAC6HDAC2HDAC8EPHX2
Hydrochloric Acid SCHEMBL17090887 0.82 PLK1 (0.66) PLK1HDAC6HDAC2HDAC8EPHX2
SCHEMBL12441883 0.81 PLK1 (0.72) PLK1HDAC6HDAC2HDAC8EPHX2
SCHEMBL14025527 0.81 PLK1 (0.76) PLK1HDAC6HDAC2HDAC8EPHX2
SCHEMBL18472970 0.81 PLK1 (0.70) PLK1HDAC6HDAC2HDAC8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-01-02 US disclosed
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-09-23 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-11858942-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 PLK1 581/4885HDAC6 1845/4885HDAC2 1117/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 PLK1 581/4885HDAC6 1845/4885HDAC2 1117/4885

“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.