SCHEMBL12609751

SCHEMBL12609751

c1ccc(N2c3cc4ccccc4cc3N3c4ccccc4CC23)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.37
MCL1 Q07820 1/20 0.35
ROCK1 Q13464 1/20 0.34
GRM4 Q14833 1/20 0.34
FPR2 P25090 1/20 0.34
MTNR1A P48039 3/20 0.33
HPGD P15428 1/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MTNR1B P49286 2/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 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
SCHEMBL18707381 0.88 NOTUM (0.42) NOTUMROCK1MTNR1AHPGDSLC6A2
SCHEMBL19954697 0.88 NOTUM (0.42) NOTUMROCK1MTNR1AHPGDSLC6A2
SCHEMBL25879868 0.82 LMNA (0.35) NOTUMMTNR1ASLC6A2HTR2AHTR2C
SCHEMBL28648154 0.77 NOTUM (0.44) NOTUMMTNR1AHPGDSLC6A2
SCHEMBL19230066 0.75 NOTUM (0.36) NOTUMROCK1MTNR1AHPGD
SCHEMBL17831021 0.74 ROCK1 (0.37) NOTUMROCK1HPGD
SCHEMBL17751517 0.74 ROCK1 (0.37) NOTUMROCK1MTNR1AHPGDSLC6A2
SCHEMBL17751472 0.73 ROCK1 (0.39) NOTUMROCK1HPGD
SCHEMBL19954699 0.73 ROCK1 (0.39) NOTUMROCK1HPGD
SCHEMBL17751482 0.73 MEN1 (0.36) NOTUMROCK1FPR2HPGD

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-8492749-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2013-07-23 US disclosed
US-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands UDC IRELAND LIMITED (IE) 2011-05-19 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-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands OCIAD1, OCIAD2, C1S NOTUM 3755/4885MCL1 1435/4885ROCK1 2719/4885

“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.