Sugi Predict

Sugi Predict / Compounds / SCHEMBL3254227

SCHEMBL3254227

SCHEMBL3254227

CC(C)COC(=O)c1c[nH]c2c(=O)[nH]c3ccc(I)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TSHR P16473 1/20 0.39
▸ GABRA1 P14867 5/20 0.39
▸ GABRA3 P34903 4/20 0.39
▸ GABRB2 P47870 3/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CDK1 P06493 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CLEC4M Q9H2X3 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL3253875 0.88 GABRA1 (0.50) ALDH1A1KDM4EGABRA1GABRA3GABRB2
SCHEMBL3245847 0.86 KDM4E (0.46) ALDH1A1KDM4ETSHRGABRA1GABRA3
SCHEMBL3250350 0.79 KDM4E (0.42) ALDH1A1KDM4ETSHRGABRA1GABRA3
SCHEMBL3243089 0.79 CYP1A2 (0.45) ALDH1A1KDM4EHSD17B10CYP1A2
SCHEMBL3251640 0.77 MMP9 (0.37) ALDH1A1KDM4ETSHRGABRA1GABRA3
SCHEMBL3248855 0.75 GABRA1 (0.64) ALDH1A1KDM4EGABRA1GABRA3GABRB2
SCHEMBL3251011 0.75 GABRA1 (0.47) ALDH1A1KDM4EGABRA1GABRA3GABRB2
SCHEMBL3254754 0.75 GABRA1 (0.47) ALDH1A1KDM4EGABRA1GABRA3GABRB2
SCHEMBL3244737 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EGABRA1GABRA3GABRB2
SCHEMBL3251608 0.73 JAK2 (0.47) ALDH1A1KDM4EGABRA1GABRA3GABRB2

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-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 — — EP claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 — — US disclosed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 — — US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 — — US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 — — 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 ALDH1A1 3830/4885KDM4E 1970/4885TSHR 4040/4885

“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.