SCHEMBL5787004

SCHEMBL5787004

CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1cc(Br)c(F)cc1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
AAK1 Q2M2I8 2/20 0.37
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
P2RX7 Q99572 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KCNK2 O95069 1/20 0.34

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
SCHEMBL6430612 0.87 LCK (0.45) LCKFYNKMT2AMEN1KDM4E
SCHEMBL5785487 0.83 AAK1 (0.48) MTNR1AMTNR1BAAK1P2RX7KMT2A
SCHEMBL31662566 0.83 AAK1 (0.48) MTNR1AMTNR1BAAK1P2RX7KMT2A
SCHEMBL5801045 0.77 AAK1 (0.36) MTNR1AMTNR1BAAK1KMT2AMEN1
SCHEMBL4804361 0.73 ALDH1A1 (0.50) KMT2AMEN1KDM4EALDH1A1LMNA
Carbamic Acid SCHEMBL31281228 0.72 AAK1 (0.42) MTNR1AMTNR1BAAK1LCKFYN
SCHEMBL31736070 0.69 AAK1 (0.52) AAK1LCKKMT2AMEN1POLB
SCHEMBL24097858 0.69 ALDH1A1 (0.40) LCKFYNP2RX7KMT2AKDM4E
SCHEMBL25853890 0.68 EGFR (0.34) LCKFYNP2RX7KMT2AMEN1
SCHEMBL28892489 0.68 AAK1 (0.46) MTNR1AMTNR1BAAK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385524-A4 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2006-02-01 EP disclosed
EP-1212327-B8 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2004-02-25 EP disclosed
EP-1385524-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS Abbott GmbH & Co. KG (DE) 2004-02-04 EP disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 US disclosed
WO-2002080926-A1 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS ABBOTT GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1212327-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-06-12 EP disclosed
WO-2001019829-A2 PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-22 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-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 MTNR1A 2505/4885MTNR1B 2460/4885AAK1 2711/4885

“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.