SCHEMBL17830817

SCHEMBL17830817

CN1CCN(c2ccc3nc4n(c(=O)c3c2)-c2ccccc2C4=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 14/20 1.00
▸ IDO2 Q6ZQW0 14/20 1.00
▸ IDO1 P14902 13/20 1.00
▸ NPC1 O15118 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ NTRK1 P04629 1/20 0.58
▸ ALOX5 P09917 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ MAPK8 P45983 1/20 0.58
▸ NTRK2 Q16620 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ MAPK14 Q16539 1/20 0.52
▸ DRD2 P14416 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ HTR2B P41595 1/20 0.47

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
SCHEMBL17830806 0.88 TDO2 (0.81) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL9103128 0.87 TDO2 (0.77) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL17830812 0.86 TDO2 (1.00) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL18059861 0.82 TDO2 (1.00) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL9101181 0.80 TDO2 (0.74) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL17830808 0.78 TDO2 (0.78) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL5618397 0.78 IDO1 (0.66) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL9104036 0.78 IDO1 (0.85) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL30537967 0.77 TDO2 (0.74) TDO2IDO2IDO1NPC1RAB9A
SCHEMBL9103139 0.77 TDO2 (0.74) TDO2IDO2IDO1NPC1RAB9A

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 4 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-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
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 9/4885IDO2 2/4885IDO1 1/4885

“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.

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