SCHEMBL17586174

SCHEMBL17586174

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 7/20 0.39
IP6K3 Q96PC2 3/20 0.39
IP6K2 Q9UHH9 3/20 0.39
PARP1 P09874 9/20 0.38
SLC2A1 P11166 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
TNKS2 Q9H2K2 5/20 0.37
TNKS O95271 4/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDPK1 O15530 1/20 0.36
CA12 O43570 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36
CHEK1 O14757 1/20 0.35
PIM1 P11309 1/20 0.35
AKT1 P31749 1/20 0.35

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
SCHEMBL17586156 0.73 IP6K1 (0.41) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17586181 0.71 IP6K1 (0.58) IP6K1IP6K3IP6K2PARP1TNKS2
SCHEMBL17586177 0.71 SLC2A1 (0.73) IP6K1PARP1SLC2A1SMN1; SMN2CHEK1
SCHEMBL17586159 0.69 IP6K1 (0.46) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL10280684 0.68 PARP1 (0.63) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17586160 0.68 IP6K1 (0.47) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17586173 0.68 IP6K1 (0.41) IP6K1IP6K3IP6K2PARP1TNKS2
SCHEMBL17586166 0.67 IP6K1 (0.39) IP6K1IP6K3IP6K2PARP1SLC2A1
SCHEMBL17035962 0.66 MET (0.45) KDM4CKDM5BCYP3A4TSHRCYP2C19
SCHEMBL11432364 0.65 KMT2A (0.46) CYP3A4TSHRCYP2C19ALOX15

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.