SCHEMBL17893668

SCHEMBL17893668

Fc1cc(Br)cc(OCCCOCc2ccccc2)c1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.50
▸ KCNA3 P22001 2/20 0.38
▸ KCNA5 P22460 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ AR P10275 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
SCHEMBL17893533 0.93 KDM1A (0.51) KDM1AKCNA3KCNA5TSHRMAOB
SCHEMBL3795791 0.85 KDM1A (0.64) KDM1AMAOBTDP1L3MBTL1PTGER1
SCHEMBL29135267 0.74 LMNA (0.55) LMNATSHRTDP1L3MBTL1
SCHEMBL6044498 0.74 LMNA (0.47) LMNAMAOBTDP1L3MBTL1PTGER1
SCHEMBL4419617 0.74 KDM1A (0.52) KDM1APTGER1
SCHEMBL17893839 0.74 CHRM4 (0.39) KCNA3KCNA5SLC6A4
SCHEMBL2658064 0.73 TSHR (0.54) TSHRMAOBTDP1L3MBTL1HRH4
SCHEMBL8621469 0.73 TSHR (0.70) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL20819709 0.72 CCNB2 (0.38) KDM1ALMNATDP1L3MBTL1
SCHEMBL24057016 0.71 KDM1A (0.52) KDM1AMAOBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 — — EP disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 — — EP disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 — — US disclosed
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-02-05 — — US disclosed
EP-3240537-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2017-11-08 — — EP disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 — — US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 — — US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 — — US disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 — — WO disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 — — 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 (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-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT KDM1A 896/4885KCNA3 3024/4885KCNA5 2353/4885
US-10196391-B2 Tetrahydropyridopyrimidines and tetrahydropyridopyridines for the treatment and prophylaxis of hepatitis B virus infection TPMT, TYMP, DPYD KDM1A 1094/4885KCNA3 3234/4885KCNA5 2833/4885

“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.

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