SCHEMBL17830804

SCHEMBL17830804

Cc1cc2nc3n(c(=O)c2cc1C)-c1ccccc1C3=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 15/20 0.69
IDO1 P14902 15/20 0.69
IDO2 Q6ZQW0 14/20 0.69
KMT2A Q03164 3/20 0.69
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
LMNA P02545 1/20 0.69
NTRK1 P04629 1/20 0.69
ALOX5 P09917 1/20 0.69
MAPT P10636 1/20 0.69
PTGS2 P35354 1/20 0.69
HTT P42858 1/20 0.69
MAPK8 P45983 1/20 0.69
NTRK2 Q16620 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
APAF1 O14727 2/20 0.53
MEN1 O00255 2/20 0.53
MITF O75030 1/20 0.53
HSP90AA1 P07900 1/20 0.53

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
Benzo[K]Tryptanthrin SCHEMBL9885118 0.87 IDO1 (0.71) TDO2IDO1IDO2KMT2ANPC1
Benzo[K]Tryptanthrin SCHEMBL30537985 0.87 IDO1 (0.71) TDO2IDO1IDO2KMT2ANPC1
SCHEMBL18773427 0.84 IDO1 (0.68) TDO2IDO1IDO2KMT2ANPC1
SCHEMBL9101181 0.84 TDO2 (0.74) TDO2IDO1IDO2KMT2ANPC1
SCHEMBL9103300 0.84 IDO1 (0.63) TDO2IDO1IDO2KMT2ANPC1
Tryptanthrin SCHEMBL2426211 0.82 TDO2 (1.00) TDO2IDO1IDO2KMT2ANPC1
Tryptanthrin SCHEMBL29359262 0.82 TDO2 (1.00) TDO2IDO1IDO2KMT2ANPC1
SCHEMBL9103139 0.82 TDO2 (0.74) TDO2IDO1IDO2KMT2ANPC1
SCHEMBL30537967 0.82 TDO2 (0.74) TDO2IDO1IDO2KMT2ANPC1
SCHEMBL25297374 0.81 TDO2 (0.72) TDO2IDO1IDO2KMT2ANPC1

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-9630969-B2 N-alkyl tryptanthrin derivative, preparation method for same, and application thereof SHANGHAI TIN TSZ BIO VALLEY BIOLOGICAL ENGINEERING CO., LTD (CN) 2017-04-25 US disclosed
US-20160168152-A1 N-ALKYL TRYPTANTHRIN DERIVATIVE, PREPARATION METHOD FOR SAME, AND APPLICATION THEREOF SHANGHAI TIN TSZ BIO VALLEY BIOLOGICAL ENGINEERING CO., LTD (CN) 2016-06-16 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-20160168152-A1 N-ALKYL TRYPTANTHRIN DERIVATIVE, PREPARATION METHOD FOR SAME, AND APPLICATION THEREOF IDO1, IDO2, TPH1 TDO2 9/4885IDO1 1/4885IDO2 2/4885

“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.