SCHEMBL2074574

SCHEMBL2074574

CN(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.50
PIK3CD O00329 1/20 0.43
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
C5AR1 P21730 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.37
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 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
SCHEMBL11895535 0.79 NR1I2 (0.54) NR1H3LPLLIPGCA1CA2
SCHEMBL16840 0.78 LIPG (0.46) LPLLIPGCA1CA2CA9
SCHEMBL15788035 0.77 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL24168794 0.75 CA1 (0.46) LPLLIPGCA1CA2CA9
SCHEMBL30291974 0.75 CA1 (0.46) LPLLIPGCA1CA2CA9
SCHEMBL2074312 0.74 CRHBP (0.53) LPLLIPGCA1CA2CA9
SCHEMBL1674134 0.73 RAB9A (0.44) LPLLIPGCA1CA2CA9
SCHEMBL2073704 0.73 NR1H3 (0.59) NR1H3PIK3CDCYP3A4CYP2C9CYP2C19
SCHEMBL30510865 0.73 RAB9A (0.44) LPLLIPGCA1CA2CA9
SCHEMBL11895349 0.72 HSD11B1 (0.58) LPLLIPGCA1CA2CA9

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-7863444-B2 4-aminopyrrolopyrimidines as kinase inhibitors ABBOTT LABORATORIES (US) 2011-01-04 US disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 EP disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 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-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 NR1H3 4172/4885PIK3CD 183/4885LPL 4053/4885

“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.