SCHEMBL13037555

SCHEMBL13037555

CC(C)(C)OC(=O)N1CCc2c(sc(N)c2N)C1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.75
▸ KDM4E B2RXH2 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ GAA P10253 1/20 0.50
▸ NR1H2 P55055 1/20 0.48
▸ BPTF Q12830 1/20 0.46
▸ MKNK1 Q9BUB5 6/20 0.45
▸ P2RX3 P56373 3/20 0.44
▸ PRKCI P41743 2/20 0.43
▸ ESR2 Q92731 1/20 0.43

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
SCHEMBL351992 0.86 ADORA1 (0.82) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL3499018 0.86 ADORA1 (1.00) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL20665903 0.84 ADORA1 (0.61) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL13739529 0.84 ADORA1 (0.78) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL2643671 0.84 MAPT (0.73) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL17018795 0.82 ADORA1 (0.65) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL938054 0.81 ADORA1 (1.00) ADORA1KDM4EMAPTGAA
SCHEMBL4065123 0.80 MAPT (0.81) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL21726131 0.79 ADORA1 (0.64) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL135453 0.79 KDM4E (0.83) ADORA1KDM4EMAPTGAANR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER PEKARI KLAUS 2010-12-23 — — US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 — — US disclosed
US-7714135-B2 Tetrahydropyridothiophenes for the treatment of proliferative diseases such as cancer 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 — — US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 — — US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 — — US disclosed
US-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer ALTANA PHARMA AG (DE) 2008-04-24 — — 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 (5 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-20080096914-A1 Tetrahydropyridothiophenes for the Treatment of Proliferative Diseases Such as Cancer MKI67, CCNT1, RB1 ADORA1 4245/4885KDM4E 2213/4885MAPT 884/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 ADORA1 467/4885KDM4E 2617/4885MAPT 3736/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ADORA1 3786/4885KDM4E 1697/4885MAPT 1276/4885
US-20100324038-A1 TETRAHYDROPYRIDOTHIOPHENES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER CCNT1, MALT1, CCNA1 ADORA1 1878/4885KDM4E 2362/4885MAPT 3705/4885
US-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ADORA1 3786/4885KDM4E 1697/4885MAPT 1276/4885

“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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