SCHEMBL14294733

SCHEMBL14294733

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.54
▸ NR1H3 Q13133 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK13 O15264 1/20 0.44
▸ GCGR P47871 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL13243234 0.88 KMT2A (0.47) ALDH1A1CA1CA2MAPK1MEN1
SCHEMBL13510721 0.83 NR1H3 (0.44) NR1H2NR1H3ALDH1A1CA1CA2
SCHEMBL8214143 0.81 ALDH1A1 (0.54) NR1H2NR1H3ALDH1A1CA1CA2
SCHEMBL17280145 0.81 CASP1 (0.42) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL14294673 0.81 MEN1 (0.47) ALDH1A1MAPK1NPC1RAB9AMEN1
SCHEMBL14270968 0.80 ALDH1A1 (0.48) NR1H2NR1H3ALDH1A1CA1CA2
SCHEMBL13510688 0.79 LTA4H (0.47) ALDH1A1NPSR1KDM4EMAPTL3MBTL1
SCHEMBL13510724 0.79 KDM4E (0.57) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL13510494 0.77 ADORA2A (0.50) ALDH1A1MAPK1RAB9AMEN1KMT2A
SCHEMBL27217046 0.76 KDM4E (0.41) ALDH1A1CA1CA2MAPK1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-02-14 — — 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-20080038225-A1 TRIAZOLYL ACYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, CTSC NR1H2 1249/4885NR1H3 999/4885ALDH1A1 923/4885

“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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