SCHEMBL4925823

SCHEMBL4925823

Cc1c(Br)cc(OCC(F)(CF)CF)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.40
LMNA P02545 3/20 0.38
KCNH2 Q12809 2/20 0.37
PDK2 Q15119 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
BACE1 P56817 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 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
SCHEMBL4930903 0.80 KCNH2 (0.40) GPR119LMNAKCNH2MAPTSMN1; SMN2
SCHEMBL4926319 0.80 RPS6KB1 (0.43) GPR119
SCHEMBL4930893 0.77 LMNA (0.46) GPR119LMNAKCNH2MAPTSMN1; SMN2
SCHEMBL5577187 0.76 GPR119 (0.33) GPR119LMNAMAPTALDH1A1
SCHEMBL4923594 0.75 KCNH2 (0.40) GPR119LMNAKCNH2PDK2MAPT
SCHEMBL4929222 0.74 LMNA (0.49) GPR119LMNAKCNH2MAPTSMN1; SMN2
SCHEMBL4928045 0.73 MEN1 (0.44) GPR119LMNAKCNH2MAPTSMN1; SMN2
SCHEMBL4930918 0.73 LMNA (0.50) LMNAKCNH2MAPTSMN1; SMN2ALDH1A1
SCHEMBL4928630 0.72 KCNH2 (0.41) GPR119LMNAKCNH2MAPTSMN1; SMN2
SCHEMBL6772998 0.72 LIPE (0.48) GPR119LMNAMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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 (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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 GPR119 536/4885LMNA 2304/4885KCNH2 3918/4885

“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.