SCHEMBL18544154

SCHEMBL18544154

Ic1cc(-c2ccccc2)nc(I)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.53
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
AGTR1 P30556 1/20 0.44
TSHR P16473 1/20 0.44
ATM Q13315 1/20 0.44
NTSR1 P30989 1/20 0.42
POLB P06746 2/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL25323 0.89 MEN1 (0.60) MIFMEN1KMT2AALDH1A1HPGD
SCHEMBL19417179 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1HPGDADORA2A
SCHEMBL13445181 0.83 ADORA1 (0.59) MIFMEN1KMT2AALDH1A1HPGD
SCHEMBL20402768 0.81 CDC7 (0.41) MIFMEN1KMT2AALDH1A1RAB9A
SCHEMBL20402789 0.79 KMT2A (0.51) MIFMEN1KMT2AALDH1A1HPGD
SCHEMBL14236366 0.79 KDM4E (0.61) MIFMEN1KMT2AALDH1A1HPGD
SCHEMBL21310206 0.79 MEN1 (0.58) MIFMEN1KMT2AALDH1A1HPGD
SCHEMBL21310211 0.79 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDADORA2A
SCHEMBL18848450 0.79 MEN1 (0.58) MIFMEN1KMT2AALDH1A1HPGD
SCHEMBL17867641 0.79 MEN1 (0.73) MIFMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399246-A1 CHARGE TRANSPORT MATERIAL, COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2020-12-24 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
US-10333074-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-25 US disclosed
US-10230054-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-12 US disclosed
US-10040794-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-08-07 US disclosed
US-10032994-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-24 US disclosed
US-10032985-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-07-24 US disclosed
US-9771373-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-09-26 US disclosed
US-9768393-B2 Condensed-cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-09-19 US disclosed
US-20170125698-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-04 US disclosed
US-20170117483-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-04-27 US disclosed
US-20170077412-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 US disclosed
US-20170054085-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-23 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 (4 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-20200399246-A1 CHARGE TRANSPORT MATERIAL, COMPOUND, AND ORGANIC LIGHT-EMITTING ELEMENT SLC26A3, SLC43A1, SLC29A2 MIF 3413/4885MEN1 1289/4885KMT2A 1904/4885
US-10032985-B2 Condensed cyclic compound and organic light-emitting device including the same CCNT1, CCNA1, CRY1 MIF 3923/4885MEN1 113/4885KMT2A 3111/4885
US-10040794-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CRY2 MIF 3225/4885MEN1 952/4885KMT2A 1935/4885
US-20190221749-A1 CHARGE TRANSPORT MATERIAL, COMPOUND, DELAYED FLUORESCENT MATERIAL AND ORGANIC LIGHT EMITTING ELEMENT SLC43A1, SLC7A5, SLC39A3 MIF 3607/4885MEN1 1112/4885KMT2A 3082/4885

“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.