SCHEMBL17059100

SCHEMBL17059100

CC(=O)c1ccc(-c2nnc(C)nn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 2/20 0.46
P4HTM Q9NXG6 2/20 0.46
KCNJ1 P48048 1/20 0.41
LDHA P00338 1/20 0.40
BAZ2B Q9UIF8 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
NPC1 O15118 3/20 0.37
PDE10A Q9Y233 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17059686 0.86 P4HA1 (0.66) P4HA1P4HTMLDHABAZ2BNPC1
SCHEMBL30626041 0.82 P4HTM (0.64) P4HA1P4HTMKCNJ1LDHABAZ2B
SCHEMBL29123392 0.82 P4HTM (0.64) P4HA1P4HTMKCNJ1LDHABAZ2B
SCHEMBL17059095 0.82 P4HA1 (0.46) P4HA1P4HTMKCNJ1LDHABAZ2B
SCHEMBL15750222 0.77 TDP1 (0.44) P4HTMRXFP1NPC1TSHRMAPT
SCHEMBL12436558 0.76 LDHA (0.56) P4HA1P4HTMKCNJ1LDHABAZ2B
SCHEMBL26014757 0.76 KDM4E (0.48) BAZ2BALDH1A1L3MBTL1KMT2A
SCHEMBL16991665 0.75 NPC1 (0.51) P4HA1P4HTMLDHABAZ2BRXFP1
SCHEMBL25261607 0.75 P4HA1 (0.79) P4HA1P4HTMLDHANPC1TSHR
SCHEMBL30448448 0.75 P4HA1 (0.79) P4HA1P4HTMLDHANPC1TSHR

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-9902705-B2 Functionalized 1,2,4,5-tetrazine compounds for use in bioorthogonal coupling reactions THE GENERAL HOSPITAL CORPORATION (US) 2018-02-27 US disclosed
US-20150246893-A1 FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS FOR USE IN BIOORTHOGONAL COUPLING REACTIONS THE GENERAL HOSPITAL CORPORATION (US) 2015-09-03 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-20150246893-A1 FUNCTIONALIZED 1,2,4,5-TETRAZINE COMPOUNDS FOR USE IN BIOORTHOGONAL COUPLING REACTIONS TIE1, TTL, EPHA2 P4HA1 2904/4885P4HTM 2114/4885KCNJ1 4661/4885

“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.