SCHEMBL12258952

SCHEMBL12258952

CNC(=O)[C@H]1CCCN1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
F2 P00734 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDK2 Q15119 1/20 0.41
TNKS O95271 1/20 0.39
POLB P06746 1/20 0.39
MAPK10 P53779 1/20 0.39
CPA1 P15085 1/20 0.39
CPA2 P48052 1/20 0.39
CPA4 Q9UI42 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38

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
SCHEMBL406540 1.00 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2PDK2
SCHEMBL10136486 1.00 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2PDK2
SCHEMBL22040436 0.94 MAPK10 (0.43) P2RX7F2KDM4ESMN1; SMN2MAPK10
SCHEMBL16530314 0.85 KDM4E (0.44) F2KDM4ESMN1; SMN2PDK2POLB
SCHEMBL21075247 0.85 P2RX7 (0.45) P2RX7F2KDM4ESMN1; SMN2TNKS
SCHEMBL22980126 0.85 KDM4E (0.44) F2KDM4ESMN1; SMN2PDK2POLB
SCHEMBL4555085 0.85 KDM4E (0.44) F2KDM4ESMN1; SMN2PDK2POLB
SCHEMBL13554426 0.83 KDM4E (0.42) KDM4ESMN1; SMN2PDK2POLBNPSR1
SCHEMBL16104095 0.83 KDM4E (0.42) KDM4ESMN1; SMN2PDK2POLBNPSR1
SCHEMBL17069029 0.83 F2 (0.47) P2RX7F2KDM4ESMN1; SMN2TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 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 (2 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 P2RX7 2754/4885F2 3411/4885KDM4E 693/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 P2RX7 2754/4885F2 3411/4885KDM4E 693/4885

“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.