SCHEMBL17586152

SCHEMBL17586152

[2H]n1cnc2ccc(C)cc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.70
CHEK1 O14757 2/20 0.51
PIM1 P11309 2/20 0.51
RPS6KA3 P51812 1/20 0.51
IP6K1 Q92551 4/20 0.44
AKT1 P31749 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
SLC2A1 P11166 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL1507614 0.82 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL29605527 0.82 PARP1 (1.00) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL17586177 0.78 SLC2A1 (0.73) PARP1CHEK1PIM1IP6K1AKT1
SCHEMBL17586185 0.73 IP6K1 (0.52) PARP1CHEK1PIM1IP6K1AKT1
SCHEMBL17586174 0.72 IP6K1 (0.39) PARP1CHEK1PIM1IP6K1AKT1
SCHEMBL30716590 0.72 KDM4E (0.52) CHEK1
SCHEMBL17586181 0.72 IP6K1 (0.58) PARP1CHEK1PIM1IP6K1AKT1
SCHEMBL17586165 0.71 SLC2A1 (0.46) PARP1CHEK1PIM1IP6K1AKT1
SCHEMBL13820309 0.71 PARP1 (0.78) PARP1CHEK1PIM1RPS6KA3IP6K1
SCHEMBL17586167 0.71 ALDH1A1 (0.56) PARP1CHEK1IP6K1SLC2A1ACVR1

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 PARP1 1343/4885CHEK1 100/4885PIM1 821/4885

“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.