SCHEMBL2073035

SCHEMBL2073035

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.53
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
HIF1A Q16665 4/20 0.44
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
DGAT1 O75907 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CSF1R P07333 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1I2 O75469 1/20 0.38
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL65967 0.91 AAK1 (0.51) AAK1PRMT5WDR77HIF1AALDH1A1
SCHEMBL1646602 0.88 AAK1 (0.52) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL38652626 0.87 AAK1 (0.51) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL25278170 0.85 AAK1 (0.48) AAK1PRMT5WDR77HIF1AALDH1A1
SCHEMBL20396303 0.84 AAK1 (0.44) AAK1PRMT5WDR77HIF1AALDH1A1
SCHEMBL2320880 0.84 HIF1A (0.46) HIF1AALDH1A1GAACSF1RKDM4E
SCHEMBL15882115 0.83 AAK1 (0.48) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL30931999 0.83 AAK1 (0.50) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL65546 0.83 AAK1 (0.53) AAK1PRMT5WDR77HIF1ADGAT1
SCHEMBL3562076 0.82 AAK1 (0.48) AAK1PRMT5WDR77HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026942-A1 TUBULIN BINDING AGENTS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2013-02-28 WO disclosed
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
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 EP disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 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-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 AAK1 292/4885PRMT5 1040/4885WDR77 3483/4885

“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.