SCHEMBL25564869

SCHEMBL25564869

Cc1cnc2c3ccccc3n(C)c2c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.62
GABRD O14764 3/20 0.62
GABRA1 P14867 3/20 0.62
GABRB1 P18505 3/20 0.62
GABRG2 P18507 3/20 0.62
GABRB3 P28472 3/20 0.62
GABRA5 P31644 3/20 0.62
GABRA3 P34903 3/20 0.62
GABRA2 P47869 3/20 0.62
GABRB2 P47870 3/20 0.62
GABRA4 P48169 3/20 0.62
GABRE P78334 3/20 0.62
GABRA6 Q16445 3/20 0.62
GABRG1 Q8N1C3 3/20 0.62
GABRG3 Q99928 3/20 0.62
GABRQ Q9UN88 3/20 0.62
LIMK1 P53667 1/20 0.54
ALKBH5 Q6P6C2 1/20 0.50
FTO Q9C0B1 1/20 0.50
KDM4E B2RXH2 4/20 0.49

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
SCHEMBL31232929 0.81 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25564888 0.79 ADORA3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25465256 0.73 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19797662 0.72 KDM4E (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16644620 0.72 ALKBH5 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17109982 0.71 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25564868 0.71 ALKBH5 (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10548732 0.71 KDM4E (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10206060 0.71 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12818766 0.70 LIMK1 (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-06-25 US disclosed
US-20230329086-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
US-20230301170-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-21 US disclosed
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-01 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-20230301170-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE LAGE3, GPX1, LEF1 GABRP 4429/4885GABRD 3431/4885GABRA1 2389/4885
US-12018037-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 GABRP 4187/4885GABRD 4034/4885GABRA1 3097/4885
US-20230329086-A1 ORGANOMETALLIC COMPOUND AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, LEF1, EML4 GABRP 4687/4885GABRD 4174/4885GABRA1 3168/4885
US-20230172053-A1 COMPOSITION, LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS, CONSUMER PRODUCT, AND ORGANOMETALLIC COMPOUND CYP1A1, CYP1B1, GPX1 GABRP 4289/4885GABRD 3073/4885GABRA1 1936/4885

“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.