SCHEMBL20180561

SCHEMBL20180561

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5cnc6ccccc65)c4)c3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.59
FGFR1 P11362 8/20 0.57
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PTK2B Q14289 1/20 0.55
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4015486 0.88 HTT (0.71) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL16158486 0.82 FGFR1 (0.59) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL17754446 0.81 MAPT (0.63) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL2642019 0.80 FGFR1 (0.60) HTTFGFR1
SCHEMBL27285256 0.80 KDR (0.63) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL2642001 0.80 FGFR1 (0.83) HTTFGFR1
SCHEMBL16158540 0.80 FGFR1 (0.83) HTTFGFR1
SCHEMBL3417304 0.80 HTT (0.78) HTTFGFR1POLB
SCHEMBL2641988 0.79 FGFR1 (0.59) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL16148149 0.79 FGFR1 (0.60) HTTFGFR1MAPTKMT2ANPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200227650-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2020-07-16 US disclosed
WO-2019004584-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2019-01-03 WO disclosed
WO-2018093107-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2018-05-24 WO 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-20200227650-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME OR10J3, ORAI2, OR51E2 HTT 3192/4885FGFR1 4616/4885MAPT 1260/4885

“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.