SCHEMBL10206277

SCHEMBL10206277

CNCC(=O)Nc1cnccc1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.46
▸ CA2 P00918 7/20 0.46
▸ KDM4C Q9H3R0 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM6B O15054 2/20 0.40
▸ KDM4D Q6B0I6 2/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ AOC1 P19801 1/20 0.39
▸ AOC3 Q16853 1/20 0.39
▸ EGLN3 Q9H6Z9 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
SCHEMBL27147974 0.83 KDM4C (0.43) KDM4CKDM4EALDH1A1KDM6BKDM4D
SCHEMBL18858140 0.81 HDAC1 (0.43) KDM4CKDM6BKDM4DHDAC3HDAC1
SCHEMBL4075291 0.78 NAMPT (0.42) HDAC1
SCHEMBL14357917 0.78 HDAC1 (0.46) KDM4CKDM4EALDH1A1GLAGAA
SCHEMBL28994432 0.78 TERT (0.48) KDM4CKDM6BKDM4DHDAC3HDAC1
Hydrochloric Acid SCHEMBL5749683 0.77 HDAC1 (0.45) KDM4CKDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL29373586 0.77 HDAC1 (0.45) KDM4CKDM4EALDH1A1GLAGAA
SCHEMBL9017891 0.76 HDAC1 (0.49) KDM4CKDM4EALDH1A1GLAGAA
SCHEMBL15432248 0.76 KDM4E (0.51) KDM4CKDM4EALDH1A1GLAGAA
SCHEMBL7653834 0.74 HDAC1 (0.45) KDM4CKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (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 (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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 CA1 1397/4885CA2 458/4885KDM4C 1513/4885

“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.

Send feedback