SCHEMBL25440304

SCHEMBL25440304

COC(=O)Cc1nnc(SC)nn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSP90AB1 P08238 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GAA P10253 2/20 0.34
GFER P55789 1/20 0.34
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL25440117 0.81 TSHR (0.41) HSD17B10HTTKMT2AMAPTMEN1
SCHEMBL26328857 0.78 HSD17B10 (0.43) HSD17B10HTTMAPTALDH1A1HSP90AB1
SCHEMBL21557857 0.72 HSP90AB1 (0.42) HSD17B10HTTKMT2AMAPTALDH1A1
SCHEMBL25439906 0.69 RXFP1 (0.32) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL25440242 0.67 HTT (0.36) HTTKMT2A
SCHEMBL22924834 0.66 KMT2A (0.44) KMT2AMAPTMEN1ALDH1A1HSP90AB1
SCHEMBL11714467 0.65 HSP90AB1 (0.44) HSD17B10HTTKMT2AMAPTALDH1A1
SCHEMBL19268378 0.65 CA12 (0.69) HSD17B10HTTMAPTALDH1A1
SCHEMBL26975131 0.65 ALDH1A1 (0.39) HSD17B10HTTKMT2AMAPTMEN1
SCHEMBL22340381 0.65 TSHR (0.40) HSD17B10HTTKMT2AMAPTMEN1

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-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 US disclosed
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS UNIVERSITY OF DELAWARE (US) 2022-04-07 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-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 HSD17B10 616/4885HTT 1626/4885KMT2A 1657/4885
US-20220106278-A1 REAGENTS AND METHODS FOR TETRAZINE SYNTHESIS TST, CYP4F8, CYP4Z1 HSD17B10 616/4885HTT 1626/4885KMT2A 1657/4885

“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.