SCHEMBL20457808

SCHEMBL20457808

Ic1ncc2sc3ccccc3c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.45
▸ LIMK1 P53667 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ GABRA1 P14867 2/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ GABRE P78334 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ GABRG1 Q8N1C3 1/20 0.35
▸ GABRG3 Q99928 1/20 0.35
▸ GABRQ Q9UN88 1/20 0.35

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
SCHEMBL16906050 0.79 GPR3 (0.45) GPR3LIMK1CDK5CDK5R1GABRA1
SCHEMBL14949584 0.79 LIMK1 (0.51) GPR3LIMK1CDK5CDK5R1GABRA1
SCHEMBL17740734 0.79 GPR3 (0.45) GPR3LIMK1CDK5CDK5R1GABRA1
SCHEMBL17109969 0.79 GPR3 (0.45) GPR3LIMK1CDK5CDK5R1GABRA1
SCHEMBL16902379 0.76 NPC1 (0.46) GPR3LIMK1CDK5CDK5R1MAPT
SCHEMBL14629295 0.75 GPR3 (0.41) GPR3LIMK1CDK5CDK5R1GABRA1
SCHEMBL17463988 0.75 GPR3 (0.41) GPR3LIMK1CDK5CDK5R1GABRA1
SCHEMBL30541607 0.72 GPR3 (0.38) GPR3LIMK1CDK5CDK5R1MAPT
SCHEMBL22762129 0.72 EGFR (0.41) GPR3LIMK1CDK5CDK5R1GABRA1
SCHEMBL16905779 0.72 GPR3 (0.38) GPR3LIMK1CDK5CDK5R1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040794-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-08-07 — — 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-10040794-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNE2, CRY2 GPR3 2429/4885LIMK1 962/4885CDK5 260/4885

“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.

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