SCHEMBL17017686

SCHEMBL17017686

c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6nc(-c7ccc(-c8ccccn8)cc7)c7ccccc7n6)c5)c4ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MAPT P10636 3/20 0.37
PPP1CA P62136 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
DHODH Q02127 1/20 0.35
METAP1 P53582 4/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PTK2B Q14289 1/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GRM5 P41594 2/20 0.33

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
SCHEMBL15596830 0.96 KMT2A (0.36) KMT2AMAPTPPP1CANPSR1CYP1A2
SCHEMBL17017687 0.95 MAPT (0.36) KMT2AMAPTPPP1CANPSR1CYP1A2
SCHEMBL17017840 0.93 KMT2A (0.38) KMT2AMAPTPPP1CANPSR1CYP1A2
SCHEMBL17017688 0.92 KMT2A (0.41) KMT2AMAPTPPP1CANPSR1CYP1A2
SCHEMBL17017641 0.92 KMT2A (0.41) KMT2AMAPTPPP1CANPSR1CYP1A2
SCHEMBL17017681 0.91 MEN1 (0.42) KMT2AMAPTNPSR1CYP1A2CYP2C9
SCHEMBL17017675 0.91 MEN1 (0.41) KMT2AMAPTNPSR1CYP1A2CYP2C9
SCHEMBL17017773 0.91 MAPT (0.36) KMT2AMAPTPPP1CANPSR1CYP1A2
SCHEMBL15596430 0.90 KMT2A (0.36) KMT2AMAPTPPP1CANPSR1CYP1A2
SCHEMBL17017678 0.87 KMT2A (0.33) KMT2AMAPTNPSR1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9905777-B2 Compound and organic electroluminescence device comprising same DOOSAN CORPORATION (KR) 2018-02-27 US disclosed
US-9905777-B2 Compound and organic electroluminescence device comprising same DOOSAN CORPORATION (KR) 2018-02-27 US disclosed
US-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2015-08-20 US disclosed
US-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME DOOSAN CORPORATION (KR) 2015-08-20 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-20150236271-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME OR10J3, VDAC1, VDAC2 KMT2A 1420/4885MAPT 1017/4885PPP1CA 3917/4885

“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.