SCHEMBL4930003

SCHEMBL4930003

Cc1c(Br)cc(C(=O)OCc2ccccc2)cc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
BACE1 P56817 2/20 0.44
ACHE P22303 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ESRRB O95718 1/20 0.42
ESR1 P03372 1/20 0.42
ESRRA P11474 1/20 0.42
ESRRG P62508 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
MAPT P10636 1/20 0.42
GBA1 P04062 1/20 0.42
P2RX7 Q99572 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41

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
SCHEMBL4930918 0.82 LMNA (0.50) BACE1LMNAMEN1KMT2AMAPT
SCHEMBL4929222 0.82 LMNA (0.49) GPR119BACE1LMNAMEN1KMT2A
SCHEMBL4922239 0.81 RPS6KB1 (0.46) GPR119BACE1ACHEMEN1KMT2A
SCHEMBL20046839 0.80 KMT2A (0.55) GPR119ACHELMNAMEN1KMT2A
SCHEMBL4932179 0.80 PTPN11 (0.52) GPR119BACE1LMNAMEN1KMT2A
SCHEMBL27446673 0.78 SMN1; SMN2 (0.55) GPR119LMNAMEN1KMT2AESRRB
SCHEMBL4930893 0.77 LMNA (0.46) GPR119BACE1LMNAMEN1KMT2A
SCHEMBL1842426 0.77 MEN1 (0.61) GPR119ACHEMEN1KMT2AMAPT
SCHEMBL4933057 0.77 TDP1 (0.62) LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL19580854 0.76 HDAC1 (0.57) GPR119ACHELMNAMEN1KMT2A

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 536/4885BACE1 1380/4885ACHE 4109/4885

“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.