SCHEMBL17601989

SCHEMBL17601989

CC(=O)NCCn1cc(C)nn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
MTNR1A P48039 11/20 0.39
MTNR1B P49286 8/20 0.39
LTA4H P09960 1/20 0.38
NQO2 P16083 1/20 0.37
DPP4 P27487 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL17320678 0.90 MAPK1 (0.41) MAPK1KDM4ETP53MTNR1AMTNR1B
SCHEMBL25606926 0.84 TP53 (0.36) TP53MTNR1AMTNR1BDPP4
SCHEMBL18000411 0.83 NPSR1 (0.38) MAPK1KDM4ETP53LTA4HDPP4
SCHEMBL17625567 0.81 MAPK1 (0.39) MAPK1
SCHEMBL22481985 0.78 GLS (0.48)
SCHEMBL24340637 0.77 NR1H4 (0.39) DPP4
SCHEMBL18994622 0.77 GBA1 (0.40) MAPK1MTNR1AMTNR1BLTA4H
SCHEMBL17625190 0.77 GGPS1 (0.39) MAPK1
SCHEMBL18685242 0.77 DPP4 (0.40) DPP4
SCHEMBL22788650 0.76 MAOB (0.41) MAPK1MTNR1AMTNR1BLTA4H

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-9682954-B2 Phenanthridine derivatives, preparation methods and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2017-06-20 US claimed
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 claimed
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

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 MAPK1 343/4885KDM4E 3792/4885TP53 1025/4885

“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.