SCHEMBL526388

SCHEMBL526388

CCOC(=O)c1noc2c1C(C)(C)CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.40
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTR2C P28335 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 2/20 0.34
CYP19A1 P11511 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MLYCD O95822 1/20 0.33
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
CACNA1F O60840 1/20 0.33

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
SCHEMBL526271 0.79 ALDH1A1 (0.34) TDP2ALDH1A1MAPTLMNATP53
SCHEMBL12499447 0.74 MAPT (0.48) TDP2ALDH1A1MAPTLMNATP53
SCHEMBL525484 0.74 BRD4 (0.47) TDP2ALDH1A1MAPTLMNATP53
SCHEMBL4150053 0.74 POLB (0.42) ALDH1A1MAPTHTTLMNAKDM4E
SCHEMBL525989 0.73 TDP2 (0.42) TDP2ALDH1A1MAPTLMNAHTR2C
SCHEMBL4159693 0.73 CCNA2 (0.46) ALDH1A1MAPTTP53KDM4EMEN1
SCHEMBL2732942 0.69 ALDH1A1 (0.41) TDP2ALDH1A1MAPTHTTHTR2C
SCHEMBL10650334 0.68 KDM4E (0.42) ALDH1A1MAPTHTTLMNATP53
SCHEMBL12000502 0.68 MAPT (0.39) TDP2ALDH1A1MAPTHTTLMNA
SCHEMBL2474939 0.67 MAPT (0.44) TDP2ALDH1A1MAPTHTTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9333205-B2 Isoxazolo-quinazolines as modulators of protein kinase activity NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-10 US disclosed
EP-2598508-B1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-22 EP disclosed
US-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-06 US disclosed
EP-2598508-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY Nerviano Medical Sciences S.r.l. (IT) 2013-06-05 EP disclosed
WO-2012013557-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-02 WO 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-20130143896-A1 ISOXAZOLO-QUINAZOLINES AS MODULATORS OF PROTEIN KINASE ACTIVITY CSNK1A1, RPS6KA1, CSNK2A1 TDP2 769/4885ALDH1A1 3745/4885MAPT 2600/4885

“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.