SCHEMBL23840591

SCHEMBL23840591

CN1CCN(CCNC(=O)c2ccc(CCN)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.69
HDAC2 Q92769 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
NPSR1 Q6W5P4 1/20 0.54
CD274 Q9NZQ7 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NAMPT P43490 2/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL23840602 0.89 ALDH1A1 (0.60) HDAC6HDAC2HDAC8NPSR1CD274
SCHEMBL23828895 0.89 ALDH1A1 (0.64) HDAC6HDAC2HDAC8NPSR1CD274
SCHEMBL23840700 0.86 CD274 (0.71) CD274ALDH1A1CYP1A2CYP2D6POLB
SCHEMBL11983548 0.82 HDAC2 (0.78) HDAC6HDAC2HDAC8NPSR1ALDH1A1
SCHEMBL19634416 0.82 HDAC6 (0.69) HDAC6HDAC2HDAC8NPSR1ALDH1A1
SCHEMBL11341680 0.80 HDAC2 (0.76) HDAC6HDAC2HDAC8NPSR1CD274
SCHEMBL17886705 0.80 SMN1; SMN2 (0.77) HDAC6HDAC2HDAC8NPSR1ALDH1A1
SCHEMBL21015348 0.79 HDAC6 (0.64) HDAC6HDAC2HDAC8NPSR1ALDH1A1
SCHEMBL11977014 0.78 LMNA (0.78) HDAC6HDAC2HDAC8NPSR1CD274
SCHEMBL8127203 0.78 HDAC2 (0.72) HDAC6HDAC2HDAC8NPSR1CD274

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-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 HDAC6 1845/4885HDAC2 1117/4885HDAC8 2550/4885
US-20210292334-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 HDAC6 1845/4885HDAC2 1117/4885HDAC8 2550/4885

“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.