SCHEMBL4929222

SCHEMBL4929222

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ GBA1 P04062 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ ESRRB O95718 1/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESRRA P11474 1/20 0.41
▸ ESRRG P62508 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 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 0.88 LMNA (0.50) LMNAMAPTALDH1A1KCNH2MEN1
SCHEMBL4930893 0.85 LMNA (0.46) LMNAMAPTALDH1A1KCNH2MEN1
SCHEMBL4932179 0.84 PTPN11 (0.52) LMNAGBA1MAPTALDH1A1MEN1
SCHEMBL355161 0.84 LMNA (0.53) LMNAGBA1MAPTALDH1A1MEN1
SCHEMBL4930003 0.82 GPR119 (0.45) LMNAGBA1MAPTMEN1KMT2A
SCHEMBL4928045 0.79 MEN1 (0.44) LMNAMAPTALDH1A1KCNH2MEN1
SCHEMBL16528113 0.79 LMNA (0.49) LMNAGBA1MAPTALDH1A1MEN1
SCHEMBL10306720 0.78 GBA1 (0.50) LMNAGBA1MAPTKCNH2MEN1
SCHEMBL16597110 0.78 MAPT (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL4928630 0.78 KCNH2 (0.41) LMNAMAPTALDH1A1KCNH2MEN1

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 LMNA 2304/4885GBA1 3683/4885MAPT 4051/4885

“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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