SCHEMBL3146252

SCHEMBL3146252

O=C(Nc1cn2c(F)c(Br)ccc2n1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAP3K5 Q99683 4/20 0.36
CDK4 P11802 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CSNK1D P48730 3/20 0.33
CSNK1E P49674 3/20 0.33
LRRK2 Q5S007 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL3141609 0.85 MAP3K5 (0.36) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5
SCHEMBL3141656 0.85 MAP3K5 (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5
SCHEMBL3146395 0.82 MAP3K5 (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5
SCHEMBL1302968 0.75 MAP3K5 (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5
SCHEMBL1320872 0.74 CDK4 (0.39) MAP3K5CDK4CCNE1CDK2JAK1
SCHEMBL1321949 0.74 GAA (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5
SCHEMBL1318544 0.73 MAP3K5 (0.61) MAP3K5CSNK1DCSNK1ELRRK2PIK3CD
SCHEMBL14468041 0.70 MAP3K5 (0.60) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5
SCHEMBL13633497 0.70 MAP3K5 (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5
SCHEMBL1318734 0.70 ABL1 (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2MAP3K5

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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
US-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG 2010-03-25 US disclosed
EP-1989201-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 WO disclosed
WO-2007095588-A1 PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2007-08-23 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-20100075965-A1 PI3 KINASE INHIBITORS AND METHODS OF THEIR USE PIK3CA, PIK3CD, PIK3CB KDM4E 3910/4885ALDH1A1 4446/4885RAB9A 1046/4885

“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.