SCHEMBL21168176

SCHEMBL21168176

Cc1cccc2c3ccnc(C)c3n(C)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.53
FTO Q9C0B1 1/20 0.53
DYRK1A Q13627 4/20 0.48
MAOA P21397 2/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
HCRTR1 O43613 1/20 0.45
RAB9A P51151 1/20 0.45
HASPIN Q8TF76 4/20 0.45
CYP2A6 P11509 2/20 0.40
CYP1A2 P05177 3/20 0.38
AAK1 Q2M2I8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 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
SCHEMBL21168174 0.87 DYRK1A (0.57) DYRK1AMAOABCHEACHEHASPIN
SCHEMBL22808273 0.83 DYRK1A (0.46) ALKBH5FTODYRK1AMAOABCHE
SCHEMBL14931058 0.82 ALKBH5 (0.72) ALKBH5FTOACHEMEN1KMT2A
SCHEMBL3333888 0.79 DYRK1A (0.59) ALKBH5FTODYRK1AMAOABCHE
SCHEMBL21168175 0.79 NPC1 (0.53) ALKBH5FTOMEN1KMT2ANPC1
SCHEMBL13564048 0.78 ALKBH5 (0.67) ALKBH5FTOACHEMEN1KMT2A
SCHEMBL24527888 0.77 HASPIN (0.46) DYRK1AMAOABCHEACHEMEN1
SCHEMBL20122851 0.77 DYRK1A (0.47) DYRK1AMAOABCHEACHEHASPIN
SCHEMBL22808274 0.76 DYRK1A (0.49) DYRK1AMAOABCHEACHEHASPIN
SCHEMBL15236172 0.76 HASPIN (0.73) DYRK1AHASPINDYRK2

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-10873039-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-12-22 US disclosed
US-20190221749-A1 CHARGE TRANSPORT MATERIAL, COMPOUND, DELAYED FLUORESCENT MATERIAL AND ORGANIC LIGHT EMITTING ELEMENT KYULUX, INC. (JP) 2019-07-18 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 (2 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-10873039-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 ALKBH5 2199/4885FTO 200/4885DYRK1A 4634/4885
US-20190221749-A1 CHARGE TRANSPORT MATERIAL, COMPOUND, DELAYED FLUORESCENT MATERIAL AND ORGANIC LIGHT EMITTING ELEMENT SLC43A1, SLC7A5, SLC39A3 ALKBH5 4113/4885FTO 1823/4885DYRK1A 4832/4885

“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.