SCHEMBL17586155

SCHEMBL17586155

[2H]n1cnc2ccc(N(CC(C)(C)O)c3ccccc3)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 7/20 0.45
IP6K3 Q96PC2 3/20 0.37
IP6K2 Q9UHH9 3/20 0.37
FGFR1 P11362 2/20 0.35
FGFR2 P21802 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR3 P22607 2/20 0.35
KDR P35968 2/20 0.35
PARP1 P09874 3/20 0.33
SLC2A1 P11166 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTC4S Q16873 1/20 0.32
DHFR P00374 1/20 0.32
APAF1 O14727 1/20 0.32
CASP3 P42574 1/20 0.32
CASP6 P55212 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL17586158 0.85 IP6K1 (0.49) IP6K1IP6K3IP6K2PARP1HSD17B10
SCHEMBL17586159 0.85 IP6K1 (0.46) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17586160 0.83 IP6K1 (0.47) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17586151 0.82 IP6K1 (0.46) IP6K1IP6K3IP6K2PARP1CHEK1
SCHEMBL17586154 0.80 IP6K1 (0.45) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17586185 0.78 IP6K1 (0.52) IP6K1IP6K3IP6K2KDRPARP1
SCHEMBL17586178 0.78 IP6K1 (0.43) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17586171 0.77 IP6K1 (0.44) IP6K1IP6K3IP6K2FGFR1FGFR2
SCHEMBL17586176 0.77 IP6K1 (0.42) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586179 0.75 IP6K1 (0.40) IP6K1IP6K3IP6K2PARP1

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-9493426-B2 Quinazolinone derivatives useful as FGFR kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2016-11-15 US disclosed
US-20160075666-A1 QUINAZOLINONE DERIVATIVES USEFUL AS FGFR KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-03-17 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-20160075666-A1 QUINAZOLINONE DERIVATIVES USEFUL AS FGFR KINASE MODULATORS FGFR1, FGFR3, FGFR2 IP6K1 471/4885IP6K3 443/4885IP6K2 464/4885

“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.