SCHEMBL251822

SCHEMBL251822

CCC(CC)Nc1nc(N)ncc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.43
NUDT1 P36639 2/20 0.41
CRHR1 P34998 7/20 0.39
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 2/20 0.34
LRRK2 Q5S007 2/20 0.34
PTPN1 P18031 1/20 0.33
PTK2 Q05397 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 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
SCHEMBL250959 0.87 ULK1 (0.42) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL24092767 0.87 ULK1 (0.42) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL218486 0.87 ULK1 (0.42) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL251813 0.87 ULK1 (0.42) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL16015108 0.84 NUDT1 (0.41) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL179470 0.84 NUDT1 (0.41) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL12688252 0.84 ULK1 (0.41) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL18879241 0.84 ULK1 (0.41) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL18708514 0.84 ULK1 (0.41) ULK1NUDT1KDM4ECYP1A2LRRK2
SCHEMBL179498 0.84 NUDT1 (0.41) ULK1NUDT1KDM4ECYP1A2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216982-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2015-12-22 US disclosed
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2015-10-08 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 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 (4 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-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 ULK1 214/4885NUDT1 1258/4885CRHR1 4294/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA ULK1 313/4885NUDT1 2412/4885CRHR1 4487/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB ULK1 213/4885NUDT1 791/4885CRHR1 4755/4885
US-20150283142-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB ULK1 492/4885NUDT1 1478/4885CRHR1 3692/4885

“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.