SCHEMBL16809638

SCHEMBL16809638

Clc1nccc2[nH]c(CN3CCCCC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CHEK1 O14757 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CHRNA7 P36544 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL16809739 0.99 ALDH1A1 (0.40) METAP2NPC1CHEK1ALDH1A1POLB
SCHEMBL16794956 0.86 CCNK (0.47) METAP2NPC1ALDH1A1POLBHRH3
SCHEMBL16794962 0.85 DRD4 (0.40) CHEK1HRH3ACHE
SCHEMBL16809738 0.84 CHEK1 (0.39) NPC1CHEK1ALDH1A1POLBMEN1
SCHEMBL16809746 0.81 METTL3 (0.34) —
SCHEMBL16809745 0.80 ICAM1 (0.35) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL16809645 0.80 CLK2 (0.40) —
SCHEMBL13656937 0.78 METAP2 (0.39) METAP2NPC1ALDH1A1POLBKMT2A
SCHEMBL26889301 0.78 CCNK (0.45) METAP2NPC1CHEK1POLBHRH3
SCHEMBL26889371 0.78 CCNK (0.45) METAP2NPC1CHEK1POLBHRH3

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-9643967-B2 Pyrrolo[3,2-c]pyridine derivatives as TLR inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-09 — — US disclosed
US-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-12 — — US disclosed
WO-2015088045-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-18 — — WO 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-20170008885-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS TLR9, TLR7, TLR1 METAP2 3089/4885NPC1 3978/4885CHEK1 2923/4885

“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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