SCHEMBL6370522

SCHEMBL6370522

O=c1c(Br)c(OCCc2ccccc2)cnn1CCO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.58
▸ PFKFB3 Q16875 2/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ALKBH1 Q13686 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ FSCN1 Q16658 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 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
SCHEMBL6291906 0.86 MAPK14 (0.65) MAPK14PFKFB3NR2E3PKM
SCHEMBL6378435 0.85 MAPK14 (0.55) MAPK14PFKFB3NR2E3KMT2AMAOA
SCHEMBL6370783 0.83 MAPK14 (0.53) MAPK14PFKFB3NR2E3
SCHEMBL6371703 0.81 MAPK14 (0.59) MAPK14PFKFB3NR2E3CYP11B1CYP11B2
SCHEMBL8283496 0.74 RAB9A (0.48) MAPK14NPC1RAB9AMITFKMT2A
SCHEMBL6370740 0.74 MAPK14 (1.00) MAPK14KMT2A
SCHEMBL6232624 0.73 MAPK14 (0.67) MAPK14PFKFB3NR2E3
SCHEMBL6265589 0.70 MAPK14 (0.62) MAPK14NR2E3RAB9AMITFPKM
SCHEMBL6378534 0.70 MAPK14 (0.64) MAPK14
SCHEMBL8281626 0.69 NPC1 (0.60) PFKFB3NPC1RAB9AMITFKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — US claimed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 — — US claimed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 — — US claimed
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — US disclosed
US-20050020594-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-01-27 — — US disclosed
US-20040142932-A1 Substituted pyridazinones PHARMACIA CORPORATION 2004-07-22 — — 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 (3 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-20040142932-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 29/4885PFKFB3 1494/4885NR2E3 2748/4885
US-20050020594-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885PFKFB3 1287/4885NR2E3 2373/4885
US-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MAPK14 34/4885PFKFB3 1287/4885NR2E3 2373/4885

“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.

Send feedback