SCHEMBL300019

SCHEMBL300019

O=c1[nH]cnc2cc(OCCCO)c(OCCCO)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.46
CHEK1 O14757 2/20 0.43
PIM1 P11309 2/20 0.43
ALDH1A1 P00352 1/20 0.43
AKT1 P31749 1/20 0.43
FLT3 P36888 1/20 0.43
PIM3 Q86V86 1/20 0.43
RPS6KA3 P51812 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
SLC2A1 P11166 1/20 0.42
IP6K1 Q92551 4/20 0.42
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
PDPK1 O15530 1/20 0.40
CA12 O43570 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA9 Q16790 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ACVR1 Q04771 1/20 0.40

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
SCHEMBL14690985 0.93 SRC (0.50) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL4297393 0.93 SRC (0.50) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL28404474 0.92 PARP1 (0.47) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL1507502 0.85 PARP1 (0.46) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL4374729 0.84 PARP1 (0.47) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL263797 0.82 PARP1 (0.46) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL29478509 0.82 PARP1 (0.46) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL4376398 0.80 SRC (0.51) PARP1CHEK1PIM1ALDH1A1AKT1
SCHEMBL13299042 0.80 SRC (0.51) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL3329628 0.80 SRC (0.51) PARP1CHEK1PIM1ALDH1A1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133999-B2 Process for preparation of 6, 7-bis(2-methoxyethoxy) quinazolin-4-one UBE INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20090253909-A1 PROCESS FOR PREPARATION OF 6, 7-BIS (2-METHOXYETHOXY) QUINAZOLIN-4-ONE UBE INDUSTRIES, LTD. (JP) 2009-10-08 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-20090253909-A1 PROCESS FOR PREPARATION OF 6, 7-BIS (2-METHOXYETHOXY) QUINAZOLIN-4-ONE CYP4F11, OGFR, CYP4B1 PARP1 3577/4885CHEK1 2154/4885PIM1 3635/4885

“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.