SCHEMBL19600804

SCHEMBL19600804

O=C[C@@H]1CCCN1c1ccc2c(c1)c1ccccc1c1nccn21

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
MAPK8 P45983 4/20 0.35
PARP1 P09874 1/20 0.33
TACR1 P25103 1/20 0.32

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
SCHEMBL861189 0.76 TERT (0.40) PARP1
SCHEMBL19606128 0.72 L3MBTL1 (0.36) PARP1TACR1
SCHEMBL841490 0.70 MAPK8 (0.42) MAPK8PARP1
SCHEMBL23064587 0.67 FFAR1 (0.46)
SCHEMBL29636632 0.67 MAPK8 (0.41) MAPK8TACR1
SCHEMBL840406 0.67 MAPK8 (0.41) MAPK8TACR1
SCHEMBL21575495 0.67 MAPK8 (0.35) MAPK8PARP1TACR1
SCHEMBL20881837 0.67 TACR1 (0.35) MAPK8PARP1TACR1
SCHEMBL20881858 0.67 KMT2A (0.43) MAPK8PARP1TACR1
SCHEMBL22349169 0.67 CCNE1 (0.37) MAPK8TACR1

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-9893306-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-13 US disclosed
US-20170331055-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-11-16 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-20170331055-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LIG1, L1CAM, LIG3 METAP2 4212/4885MAPK8 3102/4885PARP1 206/4885

“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.