SCHEMBL5039644

SCHEMBL5039644

Cc1csc2ncn(C)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
BCAT2 O15382 1/20 0.33
HPGD P15428 1/20 0.33
GDA Q9Y2T3 2/20 0.32
PIK3CD O00329 1/20 0.32
POLB P06746 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
NTSR1 P30989 1/20 0.32
MC3R P41968 1/20 0.32
NOTUM Q6P988 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
NR2E1 Q9Y466 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CYP3A4 P08684 2/20 0.31

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
SCHEMBL25120296 0.78 IKBKB (0.35) LMNAGDAPIK3CDPOLBADORA3
SCHEMBL13833647 0.73 LMNA (0.49) LMNABCAT2HPGDPOLBALDH1A1
SCHEMBL24400862 0.67 HTR1A (0.31)
SCHEMBL25119801 0.62 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL15519705 0.62 LMNA (0.45) LMNABCAT2HPGDPOLBALDH1A1
SCHEMBL13833812 0.62 PDPK1 (0.49) LMNABCAT2HPGDMAPK1PKM
SCHEMBL8737256 0.61 IKBKB (0.36) LMNAGDAPIK3CDPOLBADORA3
SCHEMBL5044309 0.61 GPR35 (0.30)
SCHEMBL23220571 0.60 PDPK1 (0.32) PKM
SCHEMBL5036174 0.60 CYP2A6 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-20230203057-A1 FIVE-MEMBERED HETEROAROMATIC IMIDAZOLE COMPOUND AND USE THEREOF HANGZHOU SCIWIND BIOSCIENCES CO., LTD (CN) 2023-06-29 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20230203057-A1 FIVE-MEMBERED HETEROAROMATIC IMIDAZOLE COMPOUND AND USE THEREOF GLP1R, GIPR, GPR119 LMNA 4747/4885BCAT2 2801/4885HPGD 1325/4885
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B LMNA 351/4885BCAT2 1424/4885HPGD 241/4885

“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.