SCHEMBL12755307

SCHEMBL12755307

CC(C)(C)c1cc2cccc(-c3ccccc3F)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.39
▸ RIPK1 Q13546 3/20 0.36
▸ DAO P14920 1/20 0.36
▸ DDO Q99489 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ MBNL1 Q9NR56 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ADORA2A P29274 1/20 0.33

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
SCHEMBL12755281 0.85 DAO (0.49) SCDDAODDOMAPK14ALDH1A1
SCHEMBL15450952 0.82 GAA (0.42) RIPK1DAODDOGAAMGAM
SCHEMBL12755309 0.81 CNR1 (0.39) DAOGAAMGAMSIMGAM2
SCHEMBL12755290 0.81 ADORA3 (0.43) RIPK1ALDH1A1ADORA2AADORA1
SCHEMBL12755308 0.80 GCGR (0.39) SCDMAPK14
SCHEMBL12755332 0.76 METAP2 (0.43) GAANPC1RAB9AALDH1A1PKM
SCHEMBL12755318 0.74 CDK4 (0.44) RIPK1GAANPC1RAB9AALDH1A1
SCHEMBL12755271 0.73 DAO (0.50) DAODDOGAAALDH1A1HRH4
SCHEMBL17811240 0.73 KIF11 (0.44) DAODDOMAPK14ALDH1A1HRH4
SCHEMBL12755320 0.73 KDM4E (0.38) GAAMGAMSIMGAM2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637542-B2 Kinase inhibitors and methods of use INTELLIKINE, INC. (US) 2014-01-28 — — US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 — — US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 — — 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-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 SCD 2022/4885RIPK1 256/4885DAO 3031/4885

“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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