SCHEMBL17625591

SCHEMBL17625591

CC(=O)c1cn(CCN)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.41
DPP4 P27487 1/20 0.40
SCD O00767 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLS O94925 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
TGM2 P21980 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
KLKB1 P03952 1/20 0.34
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 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
SCHEMBL15776049 0.84 DPP4 (0.53) CA5ADPP4SCDALDH1A1LMNA
SCHEMBL15223688 0.84 L3MBTL1 (0.42) CA5ASCDALDH1A1LMNAGLS
SCHEMBL15775618 0.81 MGAM (0.45) CA5ADPP4ALDH1A1LMNAHPGD
SCHEMBL18994632 0.81 DPP4 (0.43) CA5ADPP4SCDALDH1A1LMNA
SCHEMBL23921578 0.81 GLS (0.44) CA5ADPP4SCDGLSSMYD3
Hydrochloric Acid SCHEMBL15775617 0.80 MGAM (0.44) CA5ADPP4ALDH1A1LMNAHPGD
SCHEMBL17427978 0.79 DPP4 (0.44) DPP4ALDH1A1LMNAGLSHDAC3
SCHEMBL23382244 0.79 ALDH1A1 (0.60) ALDH1A1LMNAHPGDSMN1; SMN2GLA
SCHEMBL17413964 0.78 TGM2 (0.35) CA5ADPP4SCDALDH1A1LMNA
SCHEMBL22247229 0.78 GLA (0.40) CA5ASCDALDH1A1LMNATGM2

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-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US disclosed
US-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-03-24 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-20160083364-A1 Phenanthridine Derivatives, Preparation Methods and Uses Thereof CTNNB1, WNT3A, WNT1 CA5A 1612/4885DPP4 633/4885SCD 2583/4885

“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.