SCHEMBL24937728

SCHEMBL24937728

N#Cc1ccc(N2CCN(C(=O)n3ccnn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
PANK3 Q9H999 1/20 0.46
AKR1C3 P42330 1/20 0.45
SLC6A7 Q99884 1/20 0.43
FAAH O00519 2/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
NAMPT P43490 2/20 0.42
POLB P06746 1/20 0.41
MGLL Q99685 1/20 0.41
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
EGLN2 Q96KS0 1/20 0.41
DPP4 P27487 1/20 0.41
PARP1 P09874 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL24937789 0.82 AKR1C3 (0.58) KDM4EAKR1C3FAAHPOLBMGLL
SCHEMBL24937774 0.82 AKR1C3 (0.60) AKR1C3
SCHEMBL24937782 0.80 KDM4E (0.50) KDM4ETP53PANK3AKR1C3SLC6A7
SCHEMBL24937848 0.79 AKR1C3 (0.61) AKR1C3SLC6A7SLC6A9SLC6A5NAMPT
SCHEMBL24937862 0.78 AKR1C3 (0.62) TP53AKR1C3FAAHPOLBMGLL
SCHEMBL6755665 0.77 CASP6 (0.63) KDM4ETP53PANK3FAAHCTSS
SCHEMBL1779457 0.75 KDM4E (0.59) KDM4ETP53PANK3AKR1C3SLC6A7
SCHEMBL2384959 0.72 KDM4E (0.80) KDM4ETP53PANK3POLB
SCHEMBL18701870 0.71 PANK3 (0.53) KDM4ETP53PANK3AKR1C3FAAH
SCHEMBL945227 0.71 DPP4 (0.53) KDM4ETP53PANK3AKR1C3FAAH

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-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND THE UNIVERSITY OF TOKYO (JP) 2023-01-26 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-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND UTS2R, TAS1R1, ULK3 KDM4E 4377/4885TP53 3919/4885PANK3 1179/4885

“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.