SCHEMBL7818166

SCHEMBL7818166

Cn1[c]nc2c(C(F)(F)F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
HSD11B1 P28845 9/20 0.39
PARP1 P09874 1/20 0.38
TRPA1 O75762 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
CNR2 P34972 1/20 0.33
HTR3A P46098 1/20 0.33
NCF1 P14598 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL18894094 0.82 GRM2 (0.40) GRM2HSD11B1PARP1NR1H2NR1H3
SCHEMBL2157946 0.78 GRM2 (0.35) GRM2PARP1CYP11B2
SCHEMBL3323208 0.76 TLR8 (0.37) PARP1CYP3A4CYP2D6CYP2C9CYP11B1
SCHEMBL5840948 0.74 GRM2 (0.44) GRM2
SCHEMBL7811170 0.74 HSD11B1 (0.38) GRM2HSD11B1PARP1NR1H2NR1H3
SCHEMBL558759 0.71 TLR8 (0.41) GRM2CYP3A4
SCHEMBL5982871 0.70 GRM2 (0.39) GRM2NOTUM
SCHEMBL27249457 0.69 NR1H2 (0.44) GRM2HSD11B1PARP1NR1H2NR1H3
SCHEMBL3278279 0.68 GRM2 (0.54) GRM2HSD11B1PARP1NOTUMCYP3A4
SCHEMBL26375284 0.68 CYP1A2 (0.47) GRM2HSD11B1NR1H2NR1H3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors UCB Biopharma SRL (BE) 2021-10-05 US disclosed
US-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS CELLTECH R&D LIMITED (GB) 2020-09-10 US disclosed
US-10464932-B2 Iminothiadiazinane dioxide derivatives as plasmepsin V inhibitors UCB BIOPHARMA SPRL (BE) 2019-11-05 US disclosed
US-20190040053-A1 Iminothiadiazinane Dioxide Derivatives as Plasmepsin V Inhibitors UCB BIOPHARMA SPRL (BE) 2019-02-07 US disclosed
EP-3419975-A1 IMINOTHIADIAZINANE DIOXIDE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2019-01-02 EP disclosed
EP-3380464-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2018-10-03 EP disclosed
WO-2017144517-A1 IMINOTHIADIAZINANE DIOXIDE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-08-31 WO disclosed
WO-2017089453-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-01 WO disclosed
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP 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 (4 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-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS PEPD, ADAM17, ANPEP GRM2 3288/4885HSD11B1 3255/4885PARP1 680/4885
US-10464932-B2 Iminothiadiazinane dioxide derivatives as plasmepsin V inhibitors PEPD, CTSL, SERPINE1 GRM2 3772/4885HSD11B1 2241/4885PARP1 1726/4885
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors PEPD, ADAM17, ANPEP GRM2 3288/4885HSD11B1 3255/4885PARP1 680/4885
US-20190040053-A1 Iminothiadiazinane Dioxide Derivatives as Plasmepsin V Inhibitors PEPD, CTSL, SERPINE1 GRM2 3772/4885HSD11B1 2241/4885PARP1 1726/4885

“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.