SCHEMBL12197878

SCHEMBL12197878

c1ccc(C(=NCc2cc3c4ccccc4c(-c4cccc(-c5ccncc5)n4)cc3c3ccccc23)c2ccccc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.34
DHODH Q02127 1/20 0.34
ROCK2 O75116 4/20 0.34
GRK2 P25098 4/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 2/20 0.32
GRM1 Q13255 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PRKCA P17252 2/20 0.32
CYP3A4 P08684 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
SCHEMBL12224657 0.78 ALDH1A1 (0.37) CYP2C9DHODHALDH1A1MAPTHPGD
SCHEMBL12197906 0.74 GRIN1 (0.38)
SCHEMBL12197932 0.72 RAB9A (0.46) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL12197872 0.72 RAB9A (0.39) CYP2C9DHODHALDH1A1MAPTHPGD
SCHEMBL12315041 0.70 MAOA (0.36) CYP2C9ALDH1A1MAPTHPGDKDM4E
SCHEMBL17116835 0.68 KMT2A (0.47) CYP2C9DHODHALDH1A1MAPTHPGD
SCHEMBL12197864 0.67 ESR1 (0.44) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL13658716 0.67 KDM4E (0.50) CYP2C9DHODHALDH1A1MAPTHPGD
SCHEMBL18905318 0.65 RAB9A (0.76) CYP2C9ALDH1A1MAPTHPGDKDM4E
SCHEMBL24993848 0.65 KMT2A (0.57) ALDH1A1MAPTHPGDKDM4EMEN1

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-8384074-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2013-02-26 US disclosed
US-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD (KR) 2011-10-06 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-20110240978-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, IDO1, NOD1 CYP2C9 137/4885DHODH 1375/4885ROCK2 2877/4885

“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.