SCHEMBL2189538

SCHEMBL2189538

CC(C)(C)c1ccc2c(c1)ncn2-c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
GABRA1 P14867 3/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FGFR1 P11362 10/20 0.47
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL12415705 0.92 MEN1 (0.47) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL12694695 0.91 MEN1 (0.48) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL12415693 0.90 GABRA1 (0.52) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL2666423 0.90 GABRA1 (0.60) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL25479095 0.89 MEN1 (0.48) HPGDMEN1KMT2AFGFR1ALDH1A1
SCHEMBL2666380 0.86 HPGD (0.52) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL13618142 0.84 FGFR1 (0.65) FGFR1ALDH1A1
SCHEMBL2191876 0.84 GABRA1 (0.52) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL2666329 0.82 MEN1 (0.47) HPGDGABRA1GABRG2GABRB3GABRA5
SCHEMBL12415691 0.82 FGFR1 (0.70) HPGDGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219988-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-13 US disclosed
US-20230165136-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed
US-20230165136-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011047315-A1 SUBSITITUTED BENZIMIDAZOLES CONCERT PHARMACEUTICALS, INC. (US) 2011-04-21 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 (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-20230219988-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, GPX1, CRY1 HPGD 2881/4885GABRA1 3084/4885GABRG2 3416/4885
US-20110172280-A1 Substituted Benzimidazoles GABRA5, GABRB1, GABRA4 HPGD 2215/4885GABRA1 6/4885GABRG2 14/4885

“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.