SCHEMBL13510688

SCHEMBL13510688

CCn1nc(-c2ccccc2)c(-c2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.47
▸ NUDT14 O95848 1/20 0.45
▸ NUDT5 Q9UKK9 1/20 0.45
▸ TNK2 Q07912 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13510724 0.86 KDM4E (0.57) MAPTKDM4EALDH1A1LMNAATM
SCHEMBL13243234 0.85 KMT2A (0.47) MAPTKDM4EALDH1A1TSHRATM
SCHEMBL8214146 0.82 NUDT14 (0.50) LTA4HNUDT14NUDT5TNK2MAPT
SCHEMBL13509094 0.81 NUDT14 (0.44) LTA4HNUDT14NUDT5TNK2KDM4E
SCHEMBL14294733 0.79 NR1H2 (0.54) MAPTKDM4EALDH1A1POLBATM
SCHEMBL17280145 0.78 CASP1 (0.42) MAPTKDM4EALDH1A1TSHRATM
SCHEMBL13510494 0.78 ADORA2A (0.50) KDM4EALDH1A1ATMTDP1L3MBTL1
SCHEMBL13510715 0.73 KDR (0.46) KDM4ELMNA
SCHEMBL13510721 0.73 NR1H3 (0.44) MAPTKDM4EALDH1A1POLBTSHR
SCHEMBL27217046 0.73 KDM4E (0.41) MAPTKDM4EALDH1A1TSHRATM

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-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC LTA4H 392/4885NUDT14 733/4885NUDT5 742/4885

“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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