SCHEMBL6639835

SCHEMBL6639835

On1nnc2ccccc21.On1nnc2cccnc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
MAPK1 P28482 1/20 0.70
ATM Q13315 1/20 0.70
RAB9A P51151 2/20 0.46
DGAT1 O75907 1/20 0.46
NPC1 O15118 1/20 0.42
SLC9A1 P19634 6/20 0.42
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
THPO P40225 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
BRD4 O60885 2/20 0.41
FAAH O00519 2/20 0.40
MGLL Q99685 2/20 0.40
KCNMA1 Q12791 1/20 0.39

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
SCHEMBL29376241 0.89 POLB (0.50) POLBMAPK1ATMRAB9ADGAT1
SCHEMBL5393 0.89 POLB (0.50) POLBMAPK1ATMRAB9ADGAT1
SCHEMBL1226224 0.89 POLB (0.50) POLBMAPK1ATMRAB9ADGAT1
Phosphine SCHEMBL30259325 0.88 POLB (0.48) POLBMAPK1ATMRAB9ANPC1
Water SCHEMBL1042885 0.88 POLB (0.48) POLBMAPK1ATMRAB9ANPC1
Water SCHEMBL29441712 0.88 POLB (0.48) POLBMAPK1ATMRAB9ANPC1
SCHEMBL1012471 0.84 POLB (1.00) POLBMAPK1ATMRAB9ADGAT1
SCHEMBL3672275 0.84 POLB (1.00) POLBMAPK1ATMRAB9ADGAT1
SCHEMBL184 0.84 POLB (1.00) POLBMAPK1ATMRAB9ADGAT1
Phosphine SCHEMBL23702726 0.82 POLB (0.95) POLBMAPK1ATMRAB9ADGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190085026-A1 AN IMPROVED PROCESSES FOR THE PREPARATION OF CARFILZOMIB OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Laurus Labs Ltd. (IN) 2019-03-21 US claimed
EP-0997465-B1 Azaindole derivatives and their use as antithrombotic agents LILLY CO ELI (US) 2004-02-04 EP disclosed
EP-0973517-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-24 EP disclosed
US-6359136-B1 AZAINDOLE COMPOUND ELI LILLY AND COMPANY 2002-03-19 US disclosed
US-6288105-B1 COMPOUNDS SUCH AS (S)-2-(4-((2-AMINO-3-HYDROXY-1-OXOPROPYL)AMINO)PHENYL)-6-HYDRO XY-3-(3-METHOXY-4-(1-PYRROLIDINYLMETHYL)BENZYL)BENZO(B)THIOPHE NE ELI LILLY AND COMPANY 2001-09-11 US disclosed
US-6265416-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-07-24 US disclosed
EP-0997465-A1 Azaindole derivatives and their use as antithrombotic agents ELI LILLY AND COMPANY (US) 2000-05-03 EP disclosed
EP-0973517-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
WO-1998048794-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO 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-20190085026-A1 AN IMPROVED PROCESSES FOR THE PREPARATION OF CARFILZOMIB OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PRCP, SF3B5, GBA1 POLB 4327/4885MAPK1 1899/4885ATM 3830/4885

“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.