SCHEMBL14848725

SCHEMBL14848725

CC(C)(C)C(=O)Nc1ncccc1OBO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GFER P55789 1/20 0.42
▸ PPIA P62937 5/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL2601270 0.76 NPC1 (0.52) L3MBTL1ALDH1A1KDM4EPOLBNPC1
SCHEMBL2494002 0.76 RAB9A (0.59) L3MBTL1ALDH1A1GFERKDM4ELMNA
SCHEMBL510235 0.75 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5044753 0.75 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL29431831 0.75 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8613491 0.75 L3MBTL1 (0.53) L3MBTL1ALDH1A1GFERKDM4ELMNA
SCHEMBL28729464 0.75 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL18640774 0.74 DHODH (0.55) L3MBTL1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL26054502 0.74 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL2556765 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4ECYP1A2CYP3A4

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-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-24 — — US disclosed
US-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 — — 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 (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-20130090331-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 L3MBTL1 1754/4885ALDH1A1 3869/4885GFER 3430/4885
US-20140206671-A1 TRICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF JANUS KINASE JAK2, JAK1, JAK3 L3MBTL1 1754/4885ALDH1A1 3869/4885GFER 3430/4885

“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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