SCHEMBL3141609

SCHEMBL3141609

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.36
CDK4 P11802 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
EPHB3 P54753 1/20 0.33
KLKB1 P03952 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
JAK1 P23458 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRA4 P48169 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31

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
SCHEMBL3146252 0.85 KDM4E (0.39) MAP3K5CDK4CCNE1CDK2CA12
SCHEMBL3141656 0.84 MAP3K5 (0.38) MAP3K5CDK4CCNE1CDK2RAB9A
SCHEMBL3142215 0.82 PIK3CA (0.39) MAP3K5EPHB3RAB9ANPC1AKT1
SCHEMBL3146395 0.81 MAP3K5 (0.38) MAP3K5CDK4CCNE1CDK2JAK1
SCHEMBL1302968 0.74 MAP3K5 (0.60) MAP3K5RAB9ANPC1KDM4EALDH1A1
SCHEMBL1321949 0.73 GAA (0.46) MAP3K5CDK4CCNE1CDK2JAK1
SCHEMBL1320872 0.73 CDK4 (0.39) MAP3K5CDK4CCNE1CDK2JAK1
SCHEMBL172081 0.73 CSNK1D (0.42)
SCHEMBL1318544 0.70 MAP3K5 (0.61) MAP3K5
SCHEMBL14468041 0.70 MAP3K5 (0.60) MAP3K5RAB9ANPC1KDM4EALDH1A1

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 MAP3K5 192/4885CDK4 89/4885CCNE1 574/4885

“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.