Sugi Predict

Sugi Predict / Compounds / SCHEMBL21691601

SCHEMBL21691601

SCHEMBL21691601

N#Cc1ccc(-c2ccccc2-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.39
▸ PRSS12 P56730 1/20 0.39
▸ ALOX5 P09917 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ TNKS O95271 1/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL21693029 0.91 PRSS12 (0.44) GPR3PRSS12PDK2TNKSPIM3
SCHEMBL21692206 0.91 PRSS12 (0.44) GPR3PRSS12PDK2TNKSPIM3
SCHEMBL21692446 0.90 PTGDR2 (0.36) GPR3PRSS12PDK2PIM3
SCHEMBL21692451 0.90 PTGDR2 (0.36) GPR3PRSS12PDK2PIM3
SCHEMBL21693186 0.89 GPR3 (0.39) GPR3PRSS12ALOX5PDK2TNKS
SCHEMBL21691571 0.89 PRSS12 (0.42) GPR3PRSS12TNKSPIM3PIM1
SCHEMBL21691673 0.89 ALOX5 (0.49) GPR3PRSS12ALOX5PDK2TNKS
SCHEMBL21693105 0.89 PRSS12 (0.38) GPR3PRSS12ALOX5PDK2TNKS
SCHEMBL18540315 0.89 PRSS12 (0.33) GPR3PRSS12ALOX5PDK2PIM3
SCHEMBL21691602 0.88 ADRA2C (0.42) ALOX5PDK2MAOBALDH1A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 — — US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 — — 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 (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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 GPR3 1463/4885PRSS12 4694/4885ALOX5 2220/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 GPR3 1463/4885PRSS12 4694/4885ALOX5 2220/4885

“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.