SCHEMBL19570331

SCHEMBL19570331

C=NCc1n[nH]c2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 14/20 0.47
MAPK1 P28482 2/20 0.41
MAPK6 Q16659 2/20 0.41
ITK Q08881 3/20 0.40
MAP2K7 O14733 2/20 0.40
HTR2A P28223 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL5953156 0.78 MAP2K4 (0.51) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL5677771 0.78 MAP2K4 (0.51) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL19570332 0.78 MAP2K4 (0.51) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL7713988 0.75 MAP2K4 (0.49) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL8206970 0.74 MAP2K4 (0.47) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL30982343 0.73 MAP2K4 (0.46) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL5635008 0.73 MAP2K4 (0.46) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL14979221 0.73 MAP2K4 (0.54) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL1041713 0.73 MAP2K4 (0.49) MAP2K4MAPK1MAPK6ITKMAP2K7
SCHEMBL16365538 0.71 FADS1 (0.42) HTR2AGPR84

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-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-09 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-20170320838-A1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS SSTR4, SSTR1, SSTR3 MAP2K4 3379/4885MAPK1 1150/4885MAPK6 2021/4885

“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.