SCHEMBL3914213

SCHEMBL3914213

CCNCCCS(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
GLA P06280 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
KDM1A O60341 5/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 1/20 0.38
SAT1 P21673 3/20 0.37
RELA Q04206 4/20 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
SCHEMBL17033956 0.85
SCHEMBL1237648 0.84 PAOX (0.42) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL12473129 0.78 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL918515 0.76 CYP2C19 (0.52) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL3914208 0.76 CYP2C19 (0.48) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL3905995 0.75
Ammonia Solution, Strong SCHEMBL18796810 0.74 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL17778017 0.74 CYP2C19 (0.46) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL24383348 0.73 CYP2C19 (0.44) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL22722087 0.72 CYP2C19 (0.55) CYP2C19MEN1GLAKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US claimed
EP-2029593-A1 INDOLE DERIVATIVES AstraZeneca AB (SE) 2009-03-04 EP claimed
EP-2016068-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2009-01-21 EP claimed
WO-2007135398-A1 INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2007-11-29 WO claimed
WO-2007129052-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20090306126-A1 Indole Derivatives ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-2029593-A1 INDOLE DERIVATIVES AstraZeneca AB (SE) 2009-03-04 EP disclosed
EP-2016068-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS AstraZeneca AB (SE) 2009-01-21 EP disclosed
EP-2016075-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS AstraZeneca AB (SE) 2009-01-21 EP disclosed
WO-2007135398-A1 INDOLE DERIVATIVES ASTRAZENECA AB (SE) 2007-11-29 WO disclosed
WO-2007129044-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
WO-2007129052-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2007-11-15 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 (3 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-20090076009-A1 THIAZOLE DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS MTOR, RPTOR, JAK2 CYP2C19 1477/4885MEN1 754/4885GLA 3504/4885
US-20090306126-A1 Indole Derivatives MTOR, IDO1, AKT1S1 CYP2C19 260/4885MEN1 575/4885GLA 3830/4885
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MTOR, RICTOR, PIK3R5 CYP2C19 136/4885MEN1 1618/4885GLA 4366/4885

“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.