SCHEMBL17586172

SCHEMBL17586172

[2H]n1cnc2ccc(N(COC3CCCCO3)c3ccccc3)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
IP6K1 Q92551 7/20 0.36
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
GRM5 P41594 1/20 0.32
IP6K3 Q96PC2 2/20 0.31
IP6K2 Q9UHH9 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 1/20 0.30
FGFR3 P22607 1/20 0.30
KDR P35968 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
SCHEMBL17586154 0.78 IP6K1 (0.45) KDM4CIP6K1IP6K3IP6K2
SCHEMBL17586171 0.78 IP6K1 (0.44) IP6K1ALDH1A1L3MBTL1IP6K3IP6K2
SCHEMBL20457002 0.77 KDM4C (0.45) KDM4CRAB9AALDH1A1MEN1KMT2A
SCHEMBL18355522 0.76 KDM4C (0.41) KDM4CRAB9AMEN1KMT2AL3MBTL1
SCHEMBL17586160 0.75 IP6K1 (0.47) IP6K1IP6K3IP6K2
SCHEMBL17586159 0.75 IP6K1 (0.46) IP6K1IP6K3IP6K2
SCHEMBL17586151 0.75 IP6K1 (0.46) IP6K1IP6K3IP6K2
SCHEMBL17586158 0.75 IP6K1 (0.49) KDM4CIP6K1ALDH1A1L3MBTL1IP6K3
SCHEMBL17586155 0.72 IP6K1 (0.45) IP6K1IP6K3IP6K2FGFR1FGFR2
SCHEMBL17586178 0.71 IP6K1 (0.43) KDM4CIP6K1IP6K3IP6K2

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 KDM4C 1796/4885IP6K1 471/4885RAB9A 941/4885

“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.