SCHEMBL17586176

SCHEMBL17586176

[2H]n1cnc2ccc(N(CCP(=O)(OC)OC)c3ccccc3)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 7/20 0.42
IP6K3 Q96PC2 3/20 0.34
IP6K2 Q9UHH9 3/20 0.34
PARP1 P09874 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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 0.81 IP6K1 (0.49) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586160 0.79 IP6K1 (0.47) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586178 0.79 IP6K1 (0.43) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586159 0.79 IP6K1 (0.46) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586151 0.79 IP6K1 (0.46) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586154 0.79 IP6K1 (0.45) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586155 0.77 IP6K1 (0.45) IP6K1IP6K3IP6K2PARP1
SCHEMBL17586185 0.75 IP6K1 (0.52) IP6K1IP6K3IP6K2PARP1
SCHEMBL20457004 0.75 PABPC1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL16132921 0.74 SLC6A2 (0.34) MTNR1AMTNR1BSLC6A2SLC6A4SLC6A3

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.