SCHEMBL19731916

SCHEMBL19731916

Cn1c2ccc(-c3cc4c(cn3)c3ccccc3n4C)cc2c2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.42
GPR3 P46089 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ROCK2 O75116 3/20 0.39
NPY5R Q15761 2/20 0.39
CYP11B2 P19099 2/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL22883537 0.94 TOP2A (0.46) TOP2AGPR3KDM4EMAPTMEN1
SCHEMBL24299501 0.94 NPC1 (0.44) TOP2AGPR3KDM4EMAPTALDH1A1
SCHEMBL23306901 0.81 TOP2A (0.39) TOP2AKDM4EMAPTALDH1A1HPGD
SCHEMBL2721585 0.80 ROCK2 (0.44) TOP2AGPR3KDM4EMAPTMEN1
SCHEMBL29358773 0.79 GPR3 (0.64) TOP2AGPR3KDM4EMAPTMEN1
SCHEMBL30929605 0.79 GPR3 (0.64) TOP2AGPR3KDM4EMAPTMEN1
SCHEMBL280032 0.79 GPR3 (0.64) TOP2AGPR3KDM4EMAPTMEN1
SCHEMBL1102752 0.79 TOP2A (0.51) TOP2AGPR3KDM4EMAPTMEN1
SCHEMBL18381764 0.78 GPR3 (0.61) TOP2AGPR3KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL3333705 0.78 GPR3 (0.61) TOP2AGPR3KDM4EMAPTMEN1

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-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) IDEMITSU KOSAN CO., LTD. (JP) 2017-12-21 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-20170362241-A1 1-FUNCTIONALIZED DIBENZOFURANS AND DIBENZOTHIOPHENES FOR ORGANIC LIGHT EMITTING DIODES (OLEDS) OCIAD1, OCIAD2, DDT TOP2A 3862/4885GPR3 2365/4885KDM4E 4056/4885

“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.