SCHEMBL16429353

SCHEMBL16429353

NCc1cccc(-c2ccccc2)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.67
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
HNF4A P41235 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PNMT P11086 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
BCL2L1 Q07817 1/20 0.45
TAAR1 Q96RJ0 1/20 0.43
KMT2A Q03164 1/20 0.43
BACE1 P56817 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
FOLH1 Q04609 1/20 0.41
PTPN5 P54829 1/20 0.41

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
SCHEMBL29099761 0.84 DPP4 (0.50) DPP4PDCD1CD274HNF4AHDAC4
SCHEMBL8889986 0.83 PDCD1 (0.62) DPP4PDCD1CD274HNF4AHDAC4
SCHEMBL927631 0.83 HDAC4 (0.52) DPP4PDCD1CD274HNF4AHDAC4
SCHEMBL28467405 0.82 DPP4 (0.69) DPP4PDCD1CD274HNF4APNMT
SCHEMBL27649925 0.82 DPP4 (0.69) DPP4PDCD1CD274HNF4APNMT
SCHEMBL469051 0.81 DPP4 (1.00) DPP4PDCD1CD274PNMTALDH1A1
SCHEMBL29872374 0.81 DPP4 (1.00) DPP4PDCD1CD274PNMTALDH1A1
SCHEMBL10911038 0.80 GABRA1 (0.61) DPP4PDCD1CD274HNF4AHDAC4
SCHEMBL17454820 0.80 PDCD1 (0.48) DPP4PDCD1CD274HNF4AHDAC4
SCHEMBL8858810 0.80 PDCD1 (0.48) DPP4PDCD1CD274HNF4AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3707242-B1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS UNIV KOELN (DE) 2022-05-18 EP disclosed
US-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2020-10-13 US disclosed
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2017-10-19 US disclosed
US-9586963-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists GENFIT (FR) 2017-03-07 US disclosed
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS GENFIT (FR) 2015-02-05 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 (3 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-10799510-B2 Derivatives of 6-substituted triazolopyridazines as Rev-Erb agonists NR1D1, NR1D2, PER2 DPP4 531/4885PDCD1 3642/4885CD274 4573/4885
US-20170296548-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 DPP4 531/4885PDCD1 3642/4885CD274 4573/4885
US-20150038503-A1 DERIVATIVES OF 6-SUBSTITUTED TRIAZOLOPYRIDAZINES AS REV-ERB AGONISTS NR1D1, NR1D2, PER2 DPP4 531/4885PDCD1 3642/4885CD274 4573/4885

“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.