SCHEMBL21693041

SCHEMBL21693041

N#Cc1cc(C#N)cc(-c2ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.42
PRSS12 P56730 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PIM3 Q86V86 2/20 0.35
CYP1A2 P05177 1/20 0.35
PTGIR P43119 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAP4K4 O95819 3/20 0.34
LIMK1 P53667 2/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
PTPN5 P54829 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL21691546 0.98 GPR3 (0.44) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21691501 0.98 GPR3 (0.44) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21692239 0.97 GPR3 (0.40) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21691573 0.95 GPR3 (0.41) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21692417 0.95 GPR3 (0.41) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21692551 0.94 MAPT (0.41) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21692206 0.92 PRSS12 (0.44) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21693029 0.92 PRSS12 (0.44) GPR3PRSS12MAPTALDH1A1HPGD
SCHEMBL21691547 0.92 PRSS12 (0.40) GPR3PRSS12ALDH1A1PIM3CYP1A2
SCHEMBL21691581 0.91 MAP4K4 (0.43) GPR3MAPTALDH1A1CYP1A2MAP4K4

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 4694/4885MAPT 1412/4885
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 4694/4885MAPT 1412/4885

“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.